 Entering Gaussian System, Link 0=g16
 Input=28_pantolactone_Boat_STD_M11-def2SVPDr.in
 Output=28_pantolactone_Boat_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/28_pantolactone_Boat_STD/Gau-17780.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/28_pantolactone_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     17781.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=28_pantolactone_Boat_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 16:01:27 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "28_pantolactone_Boat_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 1.011671000000     -1.084086000000     -0.813691000000
  C                                                 1.419413000000     -0.188289000000      0.111620000000
  O                                                 2.553619000000     -0.095356000000      0.484544000000
  C                                                 0.235828000000      0.696000000000      0.519965000000
  C                                                -0.979961000000     -0.126503000000      0.081048000000
  C                                                -0.385884000000     -0.883675000000     -1.120205000000
  O                                                 0.318123000000      1.909739000000     -0.219607000000
  H                                                 0.252519000000      0.889728000000      1.595205000000
  C                                                -2.196472000000      0.704842000000     -0.305200000000
  C                                                -1.329021000000     -1.118373000000      1.197513000000
  H                                                -0.452245000000     -0.301310000000     -2.040275000000
  H                                                -0.831807000000     -1.864662000000     -1.274620000000
  H                                                 1.179565000000      2.308118000000     -0.044321000000
  H                                                -1.948274000000      1.441050000000     -1.067010000000
  H                                                -2.593106000000      1.235162000000      0.562058000000
  H                                                -2.987301000000      0.056387000000     -0.689334000000
  H                                                -0.472039000000     -1.735350000000      1.475951000000
  H                                                -2.129645000000     -1.785340000000      0.874079000000
  H                                                -1.668393000000     -0.590170000000      2.089853000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12          16          12          12          12          16           1          12          12
 AtmWgt=  15.9949146  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           1           0           0
 AtZEff=   5.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   0.0000000
 AtZNuc=   8.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 16:01:27 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        1.011671   -1.084086   -0.813691
      2          6           0        1.419413   -0.188289    0.111620
      3          8           0        2.553619   -0.095356    0.484544
      4          6           0        0.235828    0.696000    0.519965
      5          6           0       -0.979961   -0.126503    0.081048
      6          6           0       -0.385884   -0.883675   -1.120205
      7          8           0        0.318123    1.909739   -0.219607
      8          1           0        0.252519    0.889728    1.595205
      9          6           0       -2.196472    0.704842   -0.305200
     10          6           0       -1.329021   -1.118373    1.197513
     11          1           0       -0.452245   -0.301310   -2.040275
     12          1           0       -0.831807   -1.864662   -1.274620
     13          1           0        1.179565    2.308118   -0.044321
     14          1           0       -1.948274    1.441050   -1.067010
     15          1           0       -2.593106    1.235162    0.562058
     16          1           0       -2.987301    0.056387   -0.689334
     17          1           0       -0.472039   -1.735350    1.475951
     18          1           0       -2.129645   -1.785340    0.874079
     19          1           0       -1.668393   -0.590170    2.089853
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.350891   0.000000
     3  O    2.245129   1.197553   0.000000
     4  C    2.355690   1.532836   2.449419   0.000000
     5  C    2.384139   2.400364   3.556679   1.532091   0.000000
     6  C    1.444741   2.293480   3.440544   2.360520   1.539235
     7  O    3.130005   2.392545   3.084425   1.423693   2.433454
     8  H    3.205469   2.173657   2.738434   1.092680   2.201001
     9  C    3.708235   3.747806   4.881329   2.568474   1.523227
    10  C    3.086253   3.098082   4.077963   2.489934   1.533670
    11  H    2.064049   2.854213   3.930947   2.832473   2.192955
    12  H    2.054304   3.130476   4.205498   3.304144   2.209294
    13  H    3.482408   2.512746   2.818583   1.951405   3.256785
    14  H    3.898943   3.922401   5.003489   2.800695   2.170919
    15  H    4.501779   4.281287   5.316490   2.880162   2.165119
    16  H    4.160279   4.485590   5.665934   3.501438   2.157858
    17  H    2.804996   2.798640   3.581491   2.706741   2.189093
    18  H    3.634307   3.965820   4.994071   3.446434   2.168504
    19  H    3.982118   3.689100   4.543924   2.782955   2.173528
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.018255   0.000000
     8  H    3.305445   2.082851   0.000000
     9  C    2.542803   2.789676   3.105363   0.000000
    10  C    2.513246   3.727033   2.586870   2.516889   0.000000
    11  H    1.090909   2.965980   3.889984   2.658036   3.452477
    12  H    1.088589   4.084299   4.122902   3.066665   2.629755
    13  H    3.714256   0.965149   2.357815   3.746489   4.424477
    14  H    2.801471   2.464613   3.497833   1.088099   3.473066
    15  H    3.491605   3.088901   3.047015   1.091189   2.746059
    16  H    2.799417   3.818558   4.050927   1.092457   2.773111
    17  H    2.733642   4.097066   2.725847   3.478607   1.092065
    18  H    2.798369   4.565230   3.653863   2.756115   1.091079
    19  H    3.469214   3.940736   2.474809   2.773482   1.091074
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.781675   0.000000
    13  H    3.668208   4.792843   0.000000
    14  H    2.494227   3.495330   3.403098   0.000000
    15  H    3.703535   4.010545   3.968876   1.764103   0.000000
    16  H    2.894736   2.946039   4.780074   1.771866   1.763769
    17  H    3.797461   2.777012   4.624787   4.328445   3.762721
    18  H    3.675524   2.511490   5.343288   3.769657   3.071740
    19  H    4.315138   3.693763   4.589732   3.764302   2.553642
                   16         17         18         19
    16  H    0.000000
    17  H    3.771647   0.000000
    18  H    2.563551   1.764201   0.000000
    19  H    3.143475   1.766232   1.766152   0.000000
 Stoichiometry    C6H10O3
 Framework group  C1[X(C6H10O3)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        1.011671   -1.084086   -0.813691
      2          6           0        1.419413   -0.188289    0.111620
      3          8           0        2.553619   -0.095356    0.484544
      4          6           0        0.235828    0.696000    0.519965
      5          6           0       -0.979961   -0.126503    0.081048
      6          6           0       -0.385884   -0.883675   -1.120205
      7          8           0        0.318123    1.909739   -0.219607
      8          1           0        0.252519    0.889728    1.595205
      9          6           0       -2.196472    0.704842   -0.305200
     10          6           0       -1.329021   -1.118373    1.197513
     11          1           0       -0.452245   -0.301310   -2.040275
     12          1           0       -0.831807   -1.864662   -1.274620
     13          1           0        1.179565    2.308118   -0.044321
     14          1           0       -1.948274    1.441050   -1.067010
     15          1           0       -2.593106    1.235162    0.562058
     16          1           0       -2.987301    0.056387   -0.689334
     17          1           0       -0.472039   -1.735350    1.475951
     18          1           0       -2.129645   -1.785340    0.874079
     19          1           0       -1.668393   -0.590170    2.089853
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4824118           1.4960408           1.2565744
 Leave Link  202 at Fri Jul 23 16:01:28 2021, MaxMem= 10737418240 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     11     12     13     14     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      4      5      6      9     10
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   287 symmetry adapted cartesian basis functions of A   symmetry.
 There are   269 symmetry adapted basis functions of A   symmetry.
   269 basis functions,   397 primitive gaussians,   287 cartesian basis functions
    35 alpha electrons       35 beta electrons
       nuclear repulsion energy       497.0319268020 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 16:01:29 2021, MaxMem= 10737418240 cpu:              13.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   269 RedAO= T EigKep=  1.33D-05  NBF=   269
 NBsUse=   269 1.00D-06 EigRej= -1.00D+00 NBFU=   269
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   287   287   287   287   287 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Fri Jul 23 16:01:30 2021, MaxMem= 10737418240 cpu:               6.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 16:01:30 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "28_pantolactone_Boat_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 16:01:31 2021, MaxMem= 10737418240 cpu:               6.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737246043 LenY= 10737163233
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -459.766901429843    
 DIIS: error= 3.61D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -459.766901429843     IErMin= 1 ErrMin= 3.61D-03
 ErrMax= 3.61D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-02 BMatP= 1.99D-02
 IDIUse=3 WtCom= 9.64D-01 WtEn= 3.61D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.453 Goal=   None    Shift=    0.000
 GapD=    0.453 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=9.41D-03 MaxDP=9.92D-01              OVMax= 2.04D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.58D-03    CP:  1.15D+00
 E= -459.786354635955     Delta-E=       -0.019453206112 Rises=F Damp=F
 DIIS: error= 1.21D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -459.786354635955     IErMin= 2 ErrMin= 1.21D-03
 ErrMax= 1.21D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-03 BMatP= 1.99D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.21D-02
 Coeff-Com:  0.377D-01 0.962D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.372D-01 0.963D+00
 Gap=     0.427 Goal=   None    Shift=    0.000
 RMSDP=2.07D-03 MaxDP=2.85D-01 DE=-1.95D-02 OVMax= 1.00D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.88D-04    CP:  1.19D+00  1.18D+00
 E= -459.787147342400     Delta-E=       -0.000792706445 Rises=F Damp=F
 DIIS: error= 1.08D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -459.787147342400     IErMin= 3 ErrMin= 1.08D-03
 ErrMax= 1.08D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-03 BMatP= 1.35D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.08D-02
 Coeff-Com: -0.626D-01 0.479D+00 0.583D+00
 Coeff-En:   0.000D+00 0.181D+00 0.819D+00
 Coeff:     -0.619D-01 0.476D+00 0.586D+00
 Gap=     0.420 Goal=   None    Shift=    0.000
 RMSDP=3.98D-04 MaxDP=4.82D-02 DE=-7.93D-04 OVMax= 3.62D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.06D-04    CP:  1.19D+00  1.21D+00  1.02D+00
 E= -459.787865161136     Delta-E=       -0.000717818736 Rises=F Damp=F
 DIIS: error= 1.87D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -459.787865161136     IErMin= 4 ErrMin= 1.87D-04
 ErrMax= 1.87D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.31D-05 BMatP= 1.09D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.87D-03
 Coeff-Com: -0.172D-01 0.492D-01 0.138D+00 0.830D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.172D-01 0.491D-01 0.138D+00 0.830D+00
 Gap=     0.419 Goal=   None    Shift=    0.000
 RMSDP=9.30D-05 MaxDP=3.66D-03 DE=-7.18D-04 OVMax= 1.08D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.22D-05    CP:  1.19D+00  1.21D+00  1.06D+00  1.04D+00
 E= -459.787890358010     Delta-E=       -0.000025196874 Rises=F Damp=F
 DIIS: error= 8.42D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -459.787890358010     IErMin= 5 ErrMin= 8.42D-05
 ErrMax= 8.42D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-06 BMatP= 2.31D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.274D-02-0.422D-01-0.365D-01 0.256D+00 0.820D+00
 Coeff:      0.274D-02-0.422D-01-0.365D-01 0.256D+00 0.820D+00
 Gap=     0.419 Goal=   None    Shift=    0.000
 RMSDP=5.27D-05 MaxDP=7.03D-03 DE=-2.52D-05 OVMax= 5.11D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.25D-05    CP:  1.19D+00  1.21D+00  1.08D+00  1.11D+00  1.05D+00
 E= -459.787894530256     Delta-E=       -0.000004172246 Rises=F Damp=F
 DIIS: error= 2.53D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -459.787894530256     IErMin= 6 ErrMin= 2.53D-05
 ErrMax= 2.53D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.60D-07 BMatP= 3.67D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.245D-02-0.228D-01-0.277D-01 0.593D-01 0.380D+00 0.609D+00
 Coeff:      0.245D-02-0.228D-01-0.277D-01 0.593D-01 0.380D+00 0.609D+00
 Gap=     0.419 Goal=   None    Shift=    0.000
 RMSDP=8.06D-06 MaxDP=2.92D-04 DE=-4.17D-06 OVMax= 2.09D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.31D-06    CP:  1.19D+00  1.21D+00  1.08D+00  1.12D+00  1.09D+00
                    CP:  1.05D+00
 E= -459.787895078493     Delta-E=       -0.000000548237 Rises=F Damp=F
 DIIS: error= 8.62D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -459.787895078493     IErMin= 7 ErrMin= 8.62D-06
 ErrMax= 8.62D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.40D-08 BMatP= 6.60D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.497D-03-0.109D-02-0.474D-02-0.289D-01-0.567D-02 0.234D+00
 Coeff-Com:  0.806D+00
 Coeff:      0.497D-03-0.109D-02-0.474D-02-0.289D-01-0.567D-02 0.234D+00
 Coeff:      0.806D+00
 Gap=     0.419 Goal=   None    Shift=    0.000
 RMSDP=5.86D-06 MaxDP=2.84D-04 DE=-5.48D-07 OVMax= 1.10D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.37D-06    CP:  1.19D+00  1.21D+00  1.08D+00  1.12D+00  1.13D+00
                    CP:  1.11D+00  1.19D+00
 E= -459.787895179102     Delta-E=       -0.000000100609 Rises=F Damp=F
 DIIS: error= 2.06D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -459.787895179102     IErMin= 8 ErrMin= 2.06D-06
 ErrMax= 2.06D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.29D-09 BMatP= 7.40D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.139D-03 0.215D-02 0.196D-02-0.132D-01-0.396D-01-0.290D-01
 Coeff-Com:  0.178D+00 0.900D+00
 Coeff:     -0.139D-03 0.215D-02 0.196D-02-0.132D-01-0.396D-01-0.290D-01
 Coeff:      0.178D+00 0.900D+00
 Gap=     0.419 Goal=   None    Shift=    0.000
 RMSDP=1.98D-06 MaxDP=7.09D-05 DE=-1.01D-07 OVMax= 5.69D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.03D-06    CP:  1.19D+00  1.21D+00  1.08D+00  1.12D+00  1.14D+00
                    CP:  1.15D+00  1.27D+00  1.22D+00
 E= -459.787895190126     Delta-E=       -0.000000011025 Rises=F Damp=F
 DIIS: error= 1.07D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -459.787895190126     IErMin= 9 ErrMin= 1.07D-06
 ErrMax= 1.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-09 BMatP= 6.29D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.103D-03 0.911D-03 0.127D-02-0.191D-02-0.133D-01-0.397D-01
 Coeff-Com: -0.212D-01 0.338D+00 0.736D+00
 Coeff:     -0.103D-03 0.911D-03 0.127D-02-0.191D-02-0.133D-01-0.397D-01
 Coeff:     -0.212D-01 0.338D+00 0.736D+00
 Gap=     0.419 Goal=   None    Shift=    0.000
 RMSDP=5.51D-07 MaxDP=1.62D-05 DE=-1.10D-08 OVMax= 2.16D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.70D-07    CP:  1.19D+00  1.21D+00  1.08D+00  1.12D+00  1.14D+00
                    CP:  1.15D+00  1.28D+00  1.31D+00  1.06D+00
 E= -459.787895191788     Delta-E=       -0.000000001662 Rises=F Damp=F
 DIIS: error= 5.02D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -459.787895191788     IErMin=10 ErrMin= 5.02D-07
 ErrMax= 5.02D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-10 BMatP= 1.13D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.169D-04 0.190D-04 0.157D-03 0.110D-02 0.132D-02-0.941D-02
 Coeff-Com: -0.277D-01-0.194D-01 0.222D+00 0.831D+00
 Coeff:     -0.169D-04 0.190D-04 0.157D-03 0.110D-02 0.132D-02-0.941D-02
 Coeff:     -0.277D-01-0.194D-01 0.222D+00 0.831D+00
 Gap=     0.419 Goal=   None    Shift=    0.000
 RMSDP=2.18D-07 MaxDP=7.61D-06 DE=-1.66D-09 OVMax= 1.26D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.25D-07    CP:  1.19D+00  1.21D+00  1.08D+00  1.12D+00  1.14D+00
                    CP:  1.15D+00  1.28D+00  1.34D+00  1.12D+00  1.19D+00
 E= -459.787895192095     Delta-E=       -0.000000000307 Rises=F Damp=F
 DIIS: error= 1.96D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -459.787895192095     IErMin=11 ErrMin= 1.96D-07
 ErrMax= 1.96D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.46D-11 BMatP= 1.41D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.155D-04-0.169D-03-0.208D-03 0.651D-03 0.292D-02 0.461D-02
 Coeff-Com: -0.248D-02-0.705D-01-0.816D-01 0.212D+00 0.934D+00
 Coeff:      0.155D-04-0.169D-03-0.208D-03 0.651D-03 0.292D-02 0.461D-02
 Coeff:     -0.248D-02-0.705D-01-0.816D-01 0.212D+00 0.934D+00
 Gap=     0.419 Goal=   None    Shift=    0.000
 RMSDP=9.43D-08 MaxDP=2.43D-06 DE=-3.07D-10 OVMax= 7.73D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.38D-08    CP:  1.19D+00  1.21D+00  1.08D+00  1.12D+00  1.14D+00
                    CP:  1.15D+00  1.28D+00  1.35D+00  1.15D+00  1.28D+00
                    CP:  1.25D+00
 E= -459.787895192175     Delta-E=       -0.000000000080 Rises=F Damp=F
 DIIS: error= 8.77D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -459.787895192175     IErMin=12 ErrMin= 8.77D-08
 ErrMax= 8.77D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.97D-12 BMatP= 2.46D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.388D-05-0.163D-04-0.449D-04-0.122D-03-0.102D-04 0.192D-02
 Coeff-Com:  0.479D-02-0.175D-02-0.455D-01-0.130D+00 0.817D-01 0.109D+01
 Coeff:      0.388D-05-0.163D-04-0.449D-04-0.122D-03-0.102D-04 0.192D-02
 Coeff:      0.479D-02-0.175D-02-0.455D-01-0.130D+00 0.817D-01 0.109D+01
 Gap=     0.419 Goal=   None    Shift=    0.000
 RMSDP=4.19D-08 MaxDP=2.63D-06 DE=-8.03D-11 OVMax= 3.94D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.60D-08    CP:  1.19D+00  1.21D+00  1.08D+00  1.12D+00  1.14D+00
                    CP:  1.15D+00  1.28D+00  1.34D+00  1.16D+00  1.31D+00
                    CP:  1.42D+00  1.22D+00
 E= -459.787895192188     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 2.53D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -459.787895192188     IErMin=13 ErrMin= 2.53D-08
 ErrMax= 2.53D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-13 BMatP= 2.97D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.189D-05 0.218D-04 0.267D-04-0.825D-04-0.404D-03-0.550D-03
 Coeff-Com:  0.312D-03 0.953D-02 0.102D-01-0.307D-01-0.126D+00 0.202D-01
 Coeff-Com:  0.112D+01
 Coeff:     -0.189D-05 0.218D-04 0.267D-04-0.825D-04-0.404D-03-0.550D-03
 Coeff:      0.312D-03 0.953D-02 0.102D-01-0.307D-01-0.126D+00 0.202D-01
 Coeff:      0.112D+01
 Gap=     0.419 Goal=   None    Shift=    0.000
 RMSDP=1.89D-08 MaxDP=1.44D-06 DE=-1.28D-11 OVMax= 1.26D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  9.00D-09    CP:  1.19D+00  1.21D+00  1.08D+00  1.12D+00  1.14D+00
                    CP:  1.15D+00  1.28D+00  1.34D+00  1.15D+00  1.30D+00
                    CP:  1.45D+00  1.32D+00  1.28D+00
 E= -459.787895192202     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 5.02D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -459.787895192202     IErMin=14 ErrMin= 5.02D-09
 ErrMax= 5.02D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.87D-14 BMatP= 2.81D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.599D-06 0.488D-05 0.795D-05-0.709D-05-0.756D-04-0.216D-03
 Coeff-Com: -0.317D-03 0.197D-02 0.504D-02 0.378D-02-0.299D-01-0.728D-01
 Coeff-Com:  0.212D+00 0.880D+00
 Coeff:     -0.599D-06 0.488D-05 0.795D-05-0.709D-05-0.756D-04-0.216D-03
 Coeff:     -0.317D-03 0.197D-02 0.504D-02 0.378D-02-0.299D-01-0.728D-01
 Coeff:      0.212D+00 0.880D+00
 Gap=     0.419 Goal=   None    Shift=    0.000
 RMSDP=4.93D-09 MaxDP=5.58D-07 DE=-1.44D-11 OVMax= 1.80D-07

 SCF Done:  E(RM11) =  -459.787895192     A.U. after   14 cycles
            NFock= 14  Conv=0.49D-08     -V/T= 2.0111
 KE= 4.547187127354D+02 PE=-2.066078004825D+03 EE= 6.545394700952D+02
 Leave Link  502 at Fri Jul 23 16:03:02 2021, MaxMem= 10737418240 cpu:            1454.5 elap:              91.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   269
 NBasis=   269 NAE=    35 NBE=    35 NFC=     0 NFV=     0
 NROrb=    269 NOA=    35 NOB=    35 NVA=   234 NVB=   234

 **** Warning!!: The largest alpha MO coefficient is  0.69070778D+02

 Leave Link  801 at Fri Jul 23 16:03:03 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5754 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.37D-13 8.33D-09 XBig12= 1.00D+00 2.25D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.37D-13 8.33D-09 XBig12= 1.36D-01 5.94D-02.
     11 vectors produced by pass  2 Test12= 1.37D-13 8.33D-09 XBig12= 1.89D-02 3.29D-02.
     11 vectors produced by pass  3 Test12= 1.37D-13 8.33D-09 XBig12= 1.64D-03 9.26D-03.
     11 vectors produced by pass  4 Test12= 1.37D-13 8.33D-09 XBig12= 8.49D-05 2.02D-03.
     11 vectors produced by pass  5 Test12= 1.37D-13 8.33D-09 XBig12= 3.92D-06 3.03D-04.
     11 vectors produced by pass  6 Test12= 1.37D-13 8.33D-09 XBig12= 1.38D-07 5.26D-05.
     11 vectors produced by pass  7 Test12= 1.37D-13 8.33D-09 XBig12= 3.41D-09 9.83D-06.
     11 vectors produced by pass  8 Test12= 1.37D-13 8.33D-09 XBig12= 7.83D-11 1.12D-06.
     10 vectors produced by pass  9 Test12= 1.37D-13 8.33D-09 XBig12= 1.87D-12 1.76D-07.
      6 vectors produced by pass 10 Test12= 1.37D-13 8.33D-09 XBig12= 4.13D-14 2.42D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   115 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.909920D+02
      2  0.216829D+01  0.772421D+02
      3  0.404970D+01  0.114243D+01  0.748363D+02
 Isotropic polarizability for W=    0.085645       81.02 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.330119D+02  0.432984D+01  0.146318D+02
      2   0.190348D+02 -0.515952D+00 -0.247045D+02
      3   0.139771D+02 -0.381388D+01  0.100727D+02
      4  -0.863653D+01 -0.598299D+02  0.629837D+01
      5   0.273665D+02  0.802291D+01 -0.644447D+02
      6  -0.364603D+01  0.160563D+00 -0.133600D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.336783D+01  0.940702D+01  0.413832D+01
      2   0.346411D+01  0.646287D+01 -0.266885D+02
      3  -0.102100D+02  0.288493D+02 -0.781351D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.172455D+01  0.248651D+02  0.954616D+01
      2  -0.127347D+02  0.994439D+01 -0.784218D+02
      3  -0.129664D+02  0.788647D+02 -0.116689D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.244184D+00 -0.170148D+01  0.109040D+01
      2  -0.170148D+01  0.263257D+00 -0.484849D+00
      3   0.109040D+01 -0.484849D+00  0.199812D+01
 OR G Eigenvalues:    -1.7859     0.8203     2.9828  Iso=    -0.6724
 Eigenvectors:
   (1)   0.777816   0.611346  -0.145802
   (2)  -0.397639   0.658342   0.639115
   (3)   0.486708  -0.439137   0.755164
 w=    0.085645 a.u., Optical Rotation Beta=     -0.6724 au.
 Molar Mass =    130.1432 grams/mole, [Alpha] ( 5320.0 A) =     -245.04 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   36315 ScalPx= 6.01D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36315 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.46D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.28D-14 2.78D-09 XBig12= 1.00D+00 3.68D-01.
     30 vectors produced by pass  1 Test12= 2.28D-14 2.78D-09 XBig12= 4.43D-02 3.84D-02.
     30 vectors produced by pass  2 Test12= 2.28D-14 2.78D-09 XBig12= 2.21D-03 7.75D-03.
     30 vectors produced by pass  3 Test12= 2.28D-14 2.78D-09 XBig12= 4.37D-05 8.12D-04.
     30 vectors produced by pass  4 Test12= 2.28D-14 2.78D-09 XBig12= 8.32D-07 6.55D-05.
     30 vectors produced by pass  5 Test12= 2.28D-14 2.78D-09 XBig12= 1.38D-08 1.05D-05.
     30 vectors produced by pass  6 Test12= 2.28D-14 2.78D-09 XBig12= 1.61D-10 1.29D-06.
     30 vectors produced by pass  7 Test12= 2.28D-14 2.78D-09 XBig12= 1.38D-12 9.21D-08.
      9 vectors produced by pass  8 Test12= 2.28D-14 2.78D-09 XBig12= 1.15D-14 1.01D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   249 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36315 ScalPx= 2.45D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36315 ScalPx= 2.45D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36315 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.55D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.909920D+02  0.216829D+01  0.404970D+01
      2   0.216829D+01  0.772421D+02  0.114243D+01
      3   0.404970D+01  0.114243D+01  0.748363D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.336783D+01  0.940702D+01  0.413832D+01
      2   0.346411D+01  0.646287D+01 -0.266885D+02
      3  -0.102100D+02  0.288493D+02 -0.781351D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.330119D+02  0.432984D+01  0.146318D+02
      2   0.190348D+02 -0.515952D+00 -0.247045D+02
      3   0.139771D+02 -0.381388D+01  0.100727D+02
      4  -0.863653D+01 -0.598299D+02  0.629837D+01
      5   0.273665D+02  0.802291D+01 -0.644447D+02
      6  -0.364603D+01  0.160563D+00 -0.133600D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.340059D+01 -0.188364D+01 -0.108885D+01 -0.155209D+01  0.545045D+00
      2  -0.188364D+01  0.201112D+00  0.475695D+00  0.545045D+00 -0.363471D+01
      3  -0.108885D+01  0.475695D+00 -0.540429D+00  0.104183D+00 -0.113825D+01
                 6             7             8             9            10 
      1   0.104183D+00 -0.840748D+00 -0.201947D+00  0.220655D+00 -0.685075D+01
      2  -0.113825D+01 -0.201947D+00 -0.165271D+01 -0.135122D+01 -0.189860D+01
      3  -0.717413D+00  0.220655D+00 -0.135122D+01 -0.277519D+01 -0.340028D+01
                11            12            13            14            15 
      1  -0.189860D+01 -0.340028D+01 -0.102987D+01  0.685497D+00  0.829362D+00
      2  -0.969516D+00  0.521736D+00  0.685497D+00 -0.218287D+00  0.134665D+00
      3   0.521736D+00 -0.658165D+00  0.829362D+00  0.134665D+00  0.478478D+00
                16            17            18            19            20 
      1  -0.183695D+01  0.584515D+00  0.163230D+00  0.169476D+02  0.873522D+00
      2   0.584515D+00  0.409113D+00  0.616424D+00  0.873522D+00  0.304598D+01
      3   0.163230D+00  0.616424D+00  0.117888D+01  0.395898D+01  0.223465D+00
                21            22            23            24            25 
      1   0.395898D+01 -0.106132D-01  0.321108D+01 -0.282426D+00  0.269370D+01
      2   0.223465D+00  0.321108D+01  0.912077D+00  0.978983D+00  0.351660D-01
      3   0.306830D+01 -0.282426D+00  0.978983D+00  0.480742D-01  0.400343D+01
                26            27            28            29            30 
      1   0.351660D-01  0.400343D+01  0.114714D+01  0.345563D+01  0.138797D+01
      2   0.754134D+00  0.901998D-01  0.345563D+01 -0.338874D+00 -0.136832D+00
      3   0.901998D-01  0.286209D+01  0.138797D+01 -0.136832D+00  0.192835D+00
                31            32            33            34            35 
      1   0.252591D+01 -0.458853D+00  0.124277D+00  0.114160D+01 -0.148105D+00
      2  -0.458853D+00 -0.179571D+01  0.138791D+01 -0.148105D+00  0.224963D+01
      3   0.124277D+00  0.138791D+01 -0.698160D+00  0.676066D-01 -0.191550D+01
                36            37            38            39            40 
      1   0.676066D-01 -0.157400D+01 -0.324968D+01  0.938550D+00 -0.306412D+01
      2  -0.191550D+01 -0.324968D+01 -0.584946D+00 -0.249869D+01 -0.290003D+00
      3  -0.592918D+01  0.938550D+00 -0.249869D+01 -0.119430D+01 -0.253382D+01
                41            42            43            44            45 
      1  -0.290003D+00 -0.253382D+01  0.981114D+00 -0.279962D+01 -0.106972D+01
      2   0.236842D+00 -0.956270D+00 -0.279962D+01 -0.166557D+01  0.370530D+01
      3  -0.956270D+00  0.441131D+01 -0.106972D+01  0.370530D+01  0.703187D+00
                46            47            48            49            50 
      1  -0.120331D+01  0.116174D+01 -0.927699D+00  0.621037D+00  0.235144D+01
      2   0.116174D+01  0.259075D+01  0.880914D+00  0.235144D+01  0.278470D+01
      3  -0.927699D+00  0.880914D+00  0.269946D+01  0.104398D+01  0.165039D+01
                51            52            53            54            55 
      1   0.104398D+01 -0.925759D+00  0.118854D+01  0.178427D+01 -0.391381D+01
      2   0.165039D+01  0.118854D+01  0.906817D+00 -0.299320D+01 -0.172866D+01
      3  -0.415945D+01  0.178427D+01 -0.299320D+01  0.239418D+01 -0.108547D+01
                56            57            58            59            60 
      1  -0.172866D+01 -0.108547D+01 -0.674329D+00 -0.856706D+00 -0.169187D+00
      2  -0.282582D+01 -0.911434D-01 -0.856706D+00  0.460128D+01 -0.150876D+01
      3  -0.911434D-01 -0.715278D+00 -0.169187D+00 -0.150876D+01 -0.787138D-01
                61            62            63            64            65 
      1  -0.175778D+01 -0.473353D+00 -0.356872D-01 -0.169627D+00 -0.922184D-01
      2  -0.473353D+00 -0.303909D+01  0.188591D+01 -0.922184D-01 -0.240840D-01
      3  -0.356872D-01  0.188591D+01 -0.871624D+00  0.119401D+01  0.739302D-01
                66            67            68            69            70 
      1   0.119401D+01 -0.933187D-02  0.119644D+00  0.819835D-01  0.133756D+01
      2   0.739302D-01  0.119644D+00  0.129268D+01  0.123666D+01  0.329454D+00
      3   0.695768D-01  0.819835D-01  0.123666D+01  0.981525D+00  0.183664D+00
                71            72            73            74            75 
      1   0.329454D+00  0.183664D+00  0.150987D+01  0.330059D+01 -0.146487D+00
      2   0.174705D+01  0.133278D+01  0.330059D+01  0.207611D+00  0.329660D+01
      3   0.133278D+01  0.811939D+01 -0.146487D+00  0.329660D+01  0.116980D+01
                76            77            78            79            80 
      1   0.381465D+01  0.845106D+00  0.329905D+01 -0.121788D+00  0.320457D+01
      2   0.845106D+00 -0.131980D+01  0.129918D+01  0.320457D+01  0.109425D+01
      3   0.329905D+01  0.129918D+01 -0.353264D+01  0.185088D+01 -0.376129D+01
                81            82            83            84            85 
      1   0.185088D+01  0.341607D+00  0.425887D+01 -0.853562D+00  0.410696D+01
      2  -0.376129D+01  0.425887D+01  0.100455D+00  0.291754D+01  0.309290D+00
      3  -0.271384D+00 -0.853562D+00  0.291754D+01  0.569505D+00  0.306124D+01
                86            87            88            89            90 
      1   0.309290D+00  0.306124D+01 -0.491809D+00  0.330175D+01  0.920837D+00
      2   0.132934D+01  0.398248D+00  0.330175D+01  0.127573D+01 -0.318299D+01
      3   0.398248D+00 -0.397457D+01  0.920837D+00 -0.318299D+01 -0.215902D+01
                91            92            93            94            95 
      1  -0.147818D+00  0.470049D+00 -0.125344D+01  0.117016D+01 -0.724301D+00
      2   0.470049D+00 -0.323335D+00  0.368084D-01 -0.724301D+00  0.100208D+01
      3  -0.125344D+01  0.368084D-01 -0.718626D+00  0.127895D+00 -0.182652D+01
                96            97            98            99           100 
      1   0.127895D+00 -0.159046D+01  0.426838D-01 -0.917565D+00 -0.188493D+01
      2  -0.182652D+01  0.426838D-01 -0.129858D+01  0.152443D+01 -0.201055D+01
      3   0.336590D+01 -0.917565D+00  0.152443D+01 -0.806469D+01 -0.607376D+00
               101           102           103           104           105 
      1  -0.201055D+01 -0.607376D+00 -0.211096D+01 -0.210921D+01 -0.751852D+00
      2  -0.225890D+01 -0.913611D+00 -0.210921D+01 -0.697575D+01 -0.234160D+01
      3  -0.913611D+00 -0.114637D+01 -0.751852D+00 -0.234160D+01 -0.160695D+01
               106           107           108           109           110 
      1  -0.161028D+00 -0.474867D+00 -0.978924D+00  0.449235D+01  0.314730D+01
      2  -0.474867D+00 -0.111991D+01 -0.113735D+01  0.314730D+01  0.402912D+01
      3  -0.978924D+00 -0.113735D+01 -0.160976D+01  0.372176D-01 -0.151319D+00
               111           112           113           114           115 
      1   0.372176D-01  0.229245D+01  0.200447D+01 -0.204170D-01  0.525500D+00
      2  -0.151319D+00  0.200447D+01  0.334311D+01  0.261971D-02  0.405503D+00
      3   0.870994D+00 -0.204170D-01  0.261971D-02  0.574416D+00  0.550756D+00
               116           117           118           119           120 
      1   0.405503D+00  0.550756D+00  0.576613D+00  0.264498D+00 -0.603344D+00
      2   0.630699D+00  0.616474D+00  0.264498D+00  0.479988D+00 -0.532874D+00
      3   0.616474D+00 -0.587535D-01 -0.603344D+00 -0.532874D+00  0.436816D+00
               121           122           123           124           125 
      1   0.818458D+00 -0.500166D+00 -0.339214D-01 -0.129673D+01  0.984018D-01
      2  -0.500166D+00  0.420894D+01 -0.246958D+01  0.984018D-01 -0.277722D+01
      3  -0.339214D-01 -0.246958D+01  0.267544D+01 -0.525872D+00  0.283847D+01
               126           127           128           129           130 
      1  -0.525872D+00 -0.299125D+01  0.116338D+01  0.147681D+01  0.132919D+01
      2   0.283847D+01  0.116338D+01 -0.120381D+01 -0.101977D+01 -0.176132D+01
      3  -0.382470D+01  0.147681D+01 -0.101977D+01 -0.133695D+01 -0.123118D+01
               131           132           133           134           135 
      1  -0.176132D+01 -0.123118D+01  0.293856D+01 -0.184128D+01 -0.210755D+01
      2   0.291076D+01  0.138203D+01 -0.184128D+01  0.219365D+01  0.209515D+01
      3   0.138203D+01  0.181709D+01 -0.210755D+01  0.209515D+01  0.376985D+01
               136           137           138           139           140 
      1  -0.689034D+01 -0.184990D+01 -0.184171D+01 -0.386088D+01 -0.181845D+01
      2  -0.184990D+01 -0.146588D+01 -0.796154D+00 -0.181845D+01 -0.199380D+01
      3  -0.184171D+01 -0.796154D+00 -0.158883D+01 -0.130813D+01 -0.849420D+00
               141           142           143           144           145 
      1  -0.130813D+01 -0.217791D+01 -0.819366D+00 -0.192737D+01  0.360817D+01
      2  -0.849420D+00 -0.819366D+00 -0.780056D+00 -0.241870D+00 -0.218852D+01
      3  -0.821608D+00 -0.192737D+01 -0.241870D+00 -0.148878D+01  0.101414D+01
               146           147           148           149           150 
      1  -0.218852D+01  0.101414D+01 -0.207413D+01  0.164998D+01 -0.949211D+00
      2   0.264146D+01 -0.158012D+01  0.164998D+01 -0.379494D+01  0.147725D+01
      3  -0.158012D+01  0.182094D+01 -0.949211D+00  0.147725D+01 -0.977180D+00
               151           152           153           154           155 
      1   0.817964D+00 -0.897325D+00  0.933720D+00 -0.481956D+01 -0.319538D+01
      2  -0.897325D+00  0.100769D+01 -0.924477D+00 -0.319538D+01 -0.282101D+01
      3   0.933720D+00 -0.924477D+00  0.172244D+01  0.655323D-01 -0.175115D+00
               156           157           158           159           160 
      1   0.655323D-01 -0.300792D+01 -0.268475D+01 -0.269009D+00 -0.109150D+01
      2  -0.175115D+00 -0.268475D+01 -0.423578D+01 -0.272732D-02 -0.944772D+00
      3  -0.120936D+01 -0.269009D+00 -0.272732D-02 -0.531479D+00 -0.851565D+00
               161           162           163           164           165 
      1  -0.944772D+00 -0.851565D+00 -0.157854D+01  0.155428D-02  0.173500D+01
      2  -0.118263D+01 -0.356988D+00  0.155428D-02 -0.480313D+00 -0.531055D+00
      3  -0.356988D+00 -0.457381D+00  0.173500D+01 -0.531055D+00 -0.178992D+01
               166           167           168           169           170 
      1   0.715436D+00 -0.517796D+00 -0.112282D+01  0.185645D+01 -0.589936D+00
      2  -0.517796D+00  0.134695D+01  0.114519D+01 -0.589936D+00  0.124701D+01
      3  -0.112282D+01  0.114519D+01  0.274593D+01 -0.226481D+01  0.115975D+01
               171 
      1  -0.226481D+01
      2   0.115975D+01
      3   0.676044D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.567503D+00 -0.269087D+00  0.768071D+00 -0.449995D+01  0.322345D+01
      2   0.579221D+01 -0.171442D+01  0.595251D+01 -0.492605D+01  0.147647D+00
      3  -0.536496D+01 -0.397799D+01  0.130080D+01  0.772866D+01  0.286880D+01
                 6             7             8             9            10 
      1  -0.359248D+01  0.226654D+01  0.243354D+00 -0.367996D+01 -0.208318D+01
      2  -0.817803D+00 -0.577100D+01 -0.332903D+01 -0.237496D+01  0.407486D+00
      3   0.235287D+01  0.381912D+01 -0.136459D+01  0.158681D+01  0.529429D+01
                11            12            13            14            15 
      1  -0.338176D+01 -0.903690D+00  0.177825D+01 -0.991617D+01 -0.259505D+01
      2   0.320716D+01 -0.882966D+01  0.769468D+01 -0.181300D+01 -0.829334D+00
      3   0.918961D+01 -0.254519D+01  0.713825D+01 -0.385424D+01  0.295443D+00
                16            17            18            19            20 
      1  -0.267774D+01  0.631787D+01  0.717415D+01  0.112391D+01  0.485202D+01
      2  -0.702334D+01  0.152011D+01 -0.396600D+01  0.213178D+01  0.163180D+01
      3  -0.685770D+01  0.493096D+01  0.916354D+00 -0.643277D+01 -0.173851D+02
                21            22            23            24            25 
      1  -0.324141D-01 -0.375116D+00  0.314238D+01 -0.196859D+01  0.263033D+01
      2   0.163588D+02 -0.287680D+00  0.273785D+01  0.299656D+00  0.369410D+01
      3  -0.181450D+01 -0.354704D+01 -0.150759D+01 -0.146491D+01  0.763282D+00
                26            27            28            29            30 
      1   0.219096D+01 -0.910241D+00  0.250042D+01 -0.148848D+01  0.200159D+01
      2   0.107904D+00  0.701479D+01  0.211116D+01 -0.423255D+01  0.952413D+00
      3  -0.406034D+01 -0.274669D+01 -0.133124D+01 -0.164791D+01  0.152589D+01
                31            32            33            34            35 
      1  -0.238226D+01  0.297752D+00  0.148628D+01  0.949538D+00  0.468620D+01
      2  -0.465814D+01  0.164366D+01 -0.169681D+01 -0.519544D+01 -0.314654D+00
      3   0.442333D+01  0.647563D+01 -0.467218D+00  0.306692D+01 -0.981335D+00
                36            37            38            39            40 
      1   0.916145D+00 -0.508953D+00  0.314639D-02 -0.753449D+00  0.614246D+00
      2  -0.258560D+01 -0.973219D+00  0.515554D+01  0.696121D+01  0.500077D+01
      3   0.120333D+00 -0.471887D+01 -0.490392D+01 -0.399456D+01  0.441571D+01
                41            42            43            44            45 
      1   0.797045D+00 -0.319618D+01 -0.369158D-01  0.514211D+01 -0.114767D+01
      2   0.941977D+00 -0.389793D+01 -0.291473D+01 -0.341777D+01 -0.201456D+01
      3  -0.825233D+00 -0.338396D+00 -0.335079D+01 -0.235329D+00  0.526072D+01
                46            47            48            49            50 
      1  -0.136648D+01 -0.331220D+01  0.475337D+00 -0.337262D+01 -0.550690D+01
      2  -0.419605D+01  0.103624D+01 -0.217216D+01  0.489691D+00  0.251801D+01
      3   0.633458D+01  0.135300D+01  0.208600D+01  0.460512D+01 -0.135641D+00
                51            52            53            54            55 
      1  -0.111486D+02 -0.834058D+00 -0.275499D+01  0.908022D+01  0.260720D+01
      2   0.491549D+01 -0.543758D+01  0.283320D+01  0.204636D+01 -0.199963D+01
      3   0.141848D+01  0.122996D+00 -0.459719D+00 -0.542791D+01 -0.112409D+02
                56            57            58            59            60 
      1   0.900884D+00  0.858965D+00  0.196045D+01  0.500271D+01 -0.659073D+01
      2  -0.194644D+01  0.176463D+01 -0.300950D+00 -0.209091D+01  0.665848D+00
      3  -0.651262D+01 -0.127344D+01  0.212532D+01 -0.546375D+01  0.375759D+00
                61            62            63            64            65 
      1   0.796599D+00  0.640992D+00  0.429874D+01 -0.755243D+00  0.205300D-01
      2  -0.313722D+01  0.906660D-02 -0.106438D+01  0.755354D+00  0.737081D+00
      3  -0.410239D+01  0.148805D+01 -0.129674D+01 -0.650996D-01 -0.100735D+01
                66            67            68            69            70 
      1   0.222600D+00  0.575750D-02  0.136533D+00 -0.188402D+00  0.796975D+00
      2   0.107737D+00 -0.110916D+00  0.328942D+00  0.823592D-01 -0.400573D+01
      3   0.367211D+00  0.887746D+00 -0.272126D+00 -0.365524D+00  0.164262D+01
                71            72            73            74            75 
      1   0.304865D+01 -0.522952D+01 -0.789779D+00 -0.293646D+01 -0.268300D+01
      2  -0.403204D+00  0.277421D+01  0.155489D+01 -0.758795D+01 -0.186245D+01
      3  -0.475265D+00 -0.383959D+00  0.110001D+02  0.139423D+01  0.851437D+01
                76            77            78            79            80 
      1  -0.323864D+01 -0.281531D+00  0.103900D+01 -0.411398D+01  0.529302D+01
      2  -0.763575D+01 -0.305054D+01  0.101646D+02 -0.912104D+01  0.115151D+02
      3   0.955401D+01 -0.347164D+01  0.632976D+01  0.841876D+01  0.564826D+01
                81            82            83            84            85 
      1   0.197678D+01  0.517888D+01  0.437591D+01  0.562515D+01  0.539938D+01
      2   0.897884D+00  0.212361D+00 -0.124380D+02  0.320573D+01 -0.112548D+02
      3  -0.796369D+01  0.547767D+01 -0.877451D+01  0.688312D+01 -0.256584D+01
                86            87            88            89            90 
      1   0.409306D+01 -0.738785D+01  0.623333D+01 -0.801473D+00 -0.956857D+01
      2  -0.107091D+01  0.751191D+00 -0.300529D+01 -0.166685D-01  0.317298D+01
      3   0.231041D+01 -0.380645D+01  0.554222D+01 -0.319440D+01 -0.588459D+01
                91            92            93            94            95 
      1  -0.208489D+01  0.758741D+00 -0.538416D+00  0.215920D+01 -0.462257D+01
      2  -0.157778D+00  0.124089D+01 -0.995818D+00  0.314907D+01 -0.639913D+00
      3   0.197163D+00 -0.167088D+01  0.598830D+00 -0.741196D+00  0.171393D+01
                96            97            98            99           100 
      1   0.543237D+01 -0.128710D+01  0.605274D+01 -0.983400D+01  0.242599D+01
      2  -0.180278D+01 -0.448359D+01 -0.881465D+00  0.220958D+01 -0.269029D+01
      3  -0.146810D+01  0.101334D+01 -0.942036D+00  0.278971D+01  0.187964D+01
               101           102           103           104           105 
      1   0.256373D+01 -0.579833D+00  0.256020D+01  0.798172D+01 -0.809064D+00
      2  -0.220232D+01  0.125852D+01 -0.373714D+01 -0.220701D+01  0.166415D+00
      3  -0.997691D-01 -0.102993D+00  0.402020D+01 -0.214588D+01 -0.399306D+00
               106           107           108           109           110 
      1  -0.583369D+00  0.904495D+00 -0.938076D-01 -0.149994D+01 -0.507805D+00
      2  -0.498757D+00 -0.408388D+00 -0.876665D+00  0.153427D+01  0.140537D+01
      3   0.415720D+00  0.158483D+00  0.119129D+01  0.108622D+02  0.368855D+01
               111           112           113           114           115 
      1  -0.217157D+01 -0.869845D+00 -0.354351D+00 -0.153066D+01 -0.118863D+01
      2   0.159290D+01  0.838024D+00  0.955670D+00  0.738041D+00  0.172848D-02
      3   0.401005D+00  0.443246D+01  0.375275D+01 -0.256326D-01  0.145531D+01
               116           117           118           119           120 
      1  -0.289756D+00  0.135936D+00  0.212915D+00 -0.266056D+00 -0.177950D+00
      2   0.647381D+00  0.311009D+00  0.239438D+01  0.139538D+01 -0.850225D+00
      3   0.195811D+00  0.743052D+00  0.176974D+01  0.111502D+01 -0.171016D+01
               121           122           123           124           125 
      1   0.149314D+00 -0.745589D+00 -0.292657D+01  0.240024D+00  0.484861D+00
      2   0.175772D+01  0.583477D+01 -0.686192D+01 -0.175182D+01 -0.675288D+01
      3   0.193836D+01  0.101272D+02 -0.634766D+01 -0.230556D+01 -0.690276D+01
               126           127           128           129           130 
      1   0.292750D+01 -0.181850D+01  0.100649D+01  0.219964D+01  0.164339D+01
      2   0.881751D+01 -0.415115D+01  0.320098D+01  0.525539D+01  0.287054D+01
      3   0.649075D+01  0.245657D+00 -0.333622D+01 -0.151873D+01 -0.182133D+01
               131           132           133           134           135 
      1  -0.146478D+01 -0.365853D+01  0.220179D+01 -0.727239D+00 -0.532515D+01
      2  -0.407139D+01 -0.583088D+01  0.391638D+01 -0.567582D+01 -0.109830D+02
      3   0.621922D+01  0.253474D+01 -0.144780D+01  0.491726D+01  0.385522D+01
               136           137           138           139           140 
      1   0.211523D+01  0.186937D+01  0.961069D+00  0.144132D+01  0.217480D+01
      2   0.173555D+01  0.128562D+01  0.518554D+01  0.141191D+01  0.149080D+01
      3  -0.906378D+01 -0.734929D+01 -0.356158D+01 -0.558921D+01 -0.779689D+01
               141           142           143           144           145 
      1  -0.325857D+00  0.154074D+01  0.161487D+01  0.619819D+00 -0.198264D+01
      2   0.260142D+01  0.251037D+01  0.345794D+00  0.336668D+01 -0.845830D+01
      3  -0.301072D+01 -0.343740D+01 -0.337607D+01 -0.192018D+01 -0.976838D+01
               146           147           148           149           150 
      1   0.227315D+01  0.121766D+01  0.124280D+01 -0.361756D+01 -0.759125D+00
      2   0.515385D+01 -0.202427D+01  0.508868D+01 -0.434298D+01  0.208830D+01
      3   0.496567D+01 -0.297565D+01  0.705607D+01 -0.639305D+01  0.311707D+01
               151           152           153           154           155 
      1   0.110287D+00  0.130126D+01  0.111055D+01 -0.463131D+01 -0.423290D+01
      2  -0.356632D+01  0.262287D+01 -0.313454D+01  0.600741D+01  0.449103D+01
      3  -0.272108D+01  0.220304D+01 -0.251541D+01  0.247009D+01 -0.188060D+01
               156           157           158           159           160 
      1  -0.337746D+01 -0.430409D+01 -0.568833D+01 -0.252956D+01 -0.220926D+01
      2   0.398414D+01  0.474433D+01  0.379639D+01  0.224190D+01  0.167674D+01
      3  -0.591540D-01  0.182769D+01 -0.358606D+01  0.413423D+00  0.550224D+00
               161           162           163           164           165 
      1  -0.870188D+00 -0.173594D+01  0.192386D+01 -0.222922D+01 -0.311230D+01
      2   0.151390D+01  0.230692D+01  0.113335D-01  0.753483D+00  0.158136D+01
      3  -0.954806D+00  0.549694D+00  0.137127D+01 -0.178579D+01 -0.269480D+01
               166           167           168           169           170 
      1  -0.193356D+01  0.477559D+01  0.382335D+01 -0.375154D+01  0.614811D+01
      2  -0.133951D+00 -0.110907D+01 -0.297782D+01 -0.138877D+01 -0.100072D+01
      3  -0.386980D+00  0.306952D+01  0.287778D+01 -0.258781D+01  0.340477D+01
               171 
      1   0.985856D+01
      2  -0.793965D+01
      3   0.463524D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.799924D+01 -0.190779D+01 -0.362111D+01  0.227743D+01 -0.981155D+01
      2  -0.367873D+01  0.392922D+00 -0.178843D+00 -0.244438D+01  0.159455D+02
      3  -0.432051D+01  0.151487D+01  0.379995D+01  0.166953D+00 -0.613393D+01
      4  -0.602044D+01  0.137365D+02  0.391469D+01  0.756038D+01 -0.672278D+01
      5  -0.623526D+01  0.468492D+01  0.128540D+02  0.378723D+01 -0.460088D+01
      6   0.329097D+01  0.480226D+00 -0.993943D+00 -0.147335D+01  0.812017D+01
                 6             7             8             9            10 
      1  -0.480817D+01  0.231534D+01 -0.429395D+01 -0.989364D+01 -0.491526D+02
      2   0.201988D+01  0.310716D+00  0.225726D+01 -0.299237D+01  0.282396D+02
      3   0.278829D+01 -0.262606D+01  0.203669D+01  0.128860D+02  0.209131D+02
      4  -0.249562D+01  0.343542D+01  0.236620D+01 -0.360825D+01 -0.435278D+01
      5   0.692869D+00  0.691698D+01 -0.381333D+01 -0.414663D+01 -0.175934D+02
      6   0.799237D+01 -0.101161D+01  0.939734D+01  0.819563D+01  0.328084D+01
                11            12            13            14            15 
      1  -0.148927D+01 -0.910929D+01 -0.679905D+01  0.112373D+01  0.760655D+01
      2  -0.399783D+01  0.847875D+01  0.283066D+01 -0.152461D+01 -0.133777D+01
      3   0.548709D+01  0.630534D+00  0.396839D+01  0.400873D+00 -0.626877D+01
      4  -0.140345D+02  0.698311D+00  0.321935D+01 -0.306864D+01  0.726440D+00
      5   0.249117D-01 -0.180636D+02 -0.243372D+01  0.103899D+00 -0.157632D+01
      6  -0.445457D+01  0.169640D+01 -0.261429D+00 -0.523530D+01  0.453952D+00
                16            17            18            19            20 
      1  -0.152794D+02  0.672024D+01 -0.101027D+01  0.994444D+02  0.301681D+01
      2   0.743523D+01 -0.687673D+01  0.900301D+00 -0.541256D+02  0.167689D+01
      3   0.784417D+01  0.156487D+00  0.109969D+00 -0.453188D+02 -0.469370D+01
      4  -0.225405D+01 -0.687342D+01  0.129439D+01  0.648467D+00  0.238971D+02
      5  -0.191358D+01  0.288021D+01 -0.690481D+01  0.232090D+02 -0.406696D+00
      6   0.213895D+01 -0.197056D+01 -0.464709D+01 -0.550986D+01  0.248180D+01
                21            22            23            24            25 
      1   0.154501D+02  0.300623D+01  0.974082D+01 -0.158416D+01  0.121770D+02
      2  -0.119696D+02 -0.258853D+01 -0.284788D+00  0.602332D+00 -0.989873D+01
      3  -0.348052D+01 -0.417709D+00 -0.945603D+01  0.981826D+00 -0.227824D+01
      4  -0.865922D+00  0.220630D+02  0.150602D+01  0.548274D+01 -0.819364D+00
      5   0.280158D+02 -0.104370D+01  0.452009D+01  0.429983D+00  0.273120D+02
      6  -0.280526D+01  0.329275D+01 -0.507709D+00  0.512501D+01 -0.250149D+01
                26            27            28            29            30 
      1  -0.843639D+00  0.122553D+02 -0.693764D+01  0.428744D+01  0.236505D+01
      2   0.832894D+00 -0.135932D+02  0.487037D+01 -0.464539D+01 -0.115173D+01
      3   0.107456D-01  0.133785D+01  0.206727D+01  0.357950D+00 -0.121331D+01
      4   0.564043D+01 -0.102249D+01  0.128226D+01  0.196331D+00 -0.108297D+00
      5  -0.782421D-01  0.170599D+02  0.247924D+01  0.323580D+00 -0.173874D+00
      6   0.516667D+01 -0.192572D+01  0.149443D+01 -0.591977D+00 -0.198392D+01
                31            32            33            34            35 
      1  -0.438794D+01  0.751077D+01 -0.648868D+01 -0.347486D+00 -0.835129D+01
      2   0.301200D+01 -0.135137D+02  0.505967D+01 -0.976319D-01  0.151660D+02
      3   0.137593D+01  0.600294D+01  0.142902D+01  0.445118D+00 -0.681468D+01
      4  -0.342375D+01 -0.228186D+01  0.164588D+01 -0.350155D+00 -0.204469D+00
      5  -0.249346D+00  0.359591D+00 -0.354197D+01 -0.237928D+01 -0.110450D+01
      6   0.149966D+01  0.228247D+01 -0.309942D+01 -0.165068D+00 -0.206013D+01
                36            37            38            39            40 
      1   0.916666D+01  0.154089D+01  0.828763D+01 -0.443225D+01  0.131522D+02
      2   0.999163D+01 -0.825296D+00 -0.213937D+01  0.285797D+01 -0.410851D+01
      3  -0.191583D+02 -0.715599D+00 -0.614826D+01  0.157428D+01 -0.904369D+01
      4   0.519818D+00  0.110798D+02 -0.455957D+00  0.508047D+01 -0.116490D+01
      5  -0.487120D+01 -0.507844D+01  0.567267D+01  0.196904D+01  0.962603D+01
      6  -0.100354D+02 -0.312248D+01  0.456655D+01  0.636972D+00  0.351093D+01
                41            42            43            44            45 
      1   0.473010D+00  0.700418D+01 -0.320569D+01  0.690314D+01  0.368089D+01
      2   0.281807D+01 -0.415106D+01  0.135019D+01 -0.251866D+01 -0.566826D+01
      3  -0.329108D+01 -0.285312D+01  0.185550D+01 -0.438449D+01  0.198737D+01
      4  -0.643467D+00  0.303798D+01  0.816220D+01  0.225845D+01 -0.831183D+01
      5   0.386195D+01 -0.897712D+01  0.331597D+01 -0.900494D+01  0.283838D+01
      6   0.408932D+01 -0.549903D+01 -0.190466D+01 -0.552756D+01  0.296237D+01
                46            47            48            49            50 
      1  -0.368866D+01  0.394380D+01  0.798279D+01  0.274555D+01  0.695045D+01
      2  -0.705942D+00 -0.727495D+01 -0.744387D+00 -0.718982D+01 -0.111471D+02
      3   0.439460D+01  0.333115D+01 -0.723840D+01  0.444427D+01  0.419669D+01
      4  -0.228902D+01 -0.110513D+02 -0.345494D+01 -0.631075D+01 -0.818338D+01
      5   0.339903D+01 -0.536257D+01 -0.682847D+01 -0.438825D+01 -0.657790D+01
      6   0.790000D+00 -0.942689D+01 -0.563953D+01 -0.813451D+01 -0.110225D+02
                51            52            53            54            55 
      1  -0.753522D+01  0.595108D+01 -0.581842D+01  0.670127D+01  0.377546D+01
      2  -0.107316D+02 -0.168218D+01 -0.699825D+01  0.995493D+01 -0.729956D+01
      3   0.182669D+02 -0.426891D+01  0.128167D+02 -0.166562D+02  0.352410D+01
      4  -0.476495D+01 -0.144928D+01 -0.272585D+01  0.112443D+01 -0.160837D+02
      5   0.384918D+01 -0.263268D+01  0.153595D+01 -0.562406D+01 -0.159537D+01
      6  -0.241132D+01 -0.287292D+01 -0.278750D+00  0.645233D+01 -0.367862D+01
                56            57            58            59            60 
      1   0.180124D+01 -0.317825D+00  0.302990D+01 -0.205923D+02  0.627867D+01
      2  -0.891106D+01  0.672527D+00 -0.541055D+01  0.312012D+02 -0.337836D+01
      3   0.710982D+01 -0.354702D+00  0.238065D+01 -0.106089D+02 -0.290032D+01
      4  -0.456676D+01 -0.276819D+01  0.793048D+00 -0.347222D+01 -0.197006D+01
      5  -0.501133D+00  0.350107D+01 -0.216678D+00 -0.126444D+01  0.190510D+01
      6  -0.174684D+01 -0.700402D+00 -0.172488D+01 -0.523929D+01  0.873326D+01
                61            62            63            64            65 
      1  -0.955940D+00  0.822691D+01 -0.868545D+01 -0.246799D-01 -0.463002D+00
      2  -0.616492D+00 -0.134313D+02  0.324004D+01 -0.314772D+01 -0.605223D-01
      3   0.157243D+01  0.520439D+01  0.544541D+01  0.317240D+01  0.523524D+00
      4  -0.546229D+01 -0.419427D+01  0.581258D+00 -0.315101D+00  0.234031D+01
      5   0.352458D+01  0.190821D+01 -0.236247D+01  0.106042D+01  0.115761D+01
      6  -0.832434D+00  0.115358D+02 -0.572755D+01  0.225676D+01  0.187844D+00
                66            67            68            69            70 
      1   0.359207D+00  0.175410D+00 -0.570837D+01 -0.372847D+01  0.601790D+00
      2  -0.703722D+00 -0.141573D+00  0.285368D+01  0.132629D+01 -0.525864D+00
      3   0.344516D+00 -0.338373D-01  0.285469D+01  0.240218D+01 -0.759261D-01
      4   0.235995D+01  0.177708D+01  0.624227D+00  0.326880D+00  0.163263D+01
      5   0.622876D+01  0.737047D+00  0.570064D+00  0.629891D+00  0.563756D+01
      6   0.560352D+00  0.256778D+00  0.494197D+01  0.814240D+01  0.741476D+00
                71            72            73            74            75 
      1  -0.487234D+01 -0.183833D+02 -0.118523D+02 -0.163510D+02 -0.408425D+01
      2   0.111723D+01 -0.142398D+02  0.105029D+02  0.102450D+02  0.596567D+01
      3   0.375511D+01  0.326230D+02  0.134939D+01  0.610599D+01 -0.188142D+01
      4   0.813789D+00  0.261014D+00 -0.168655D+02 -0.917706D+00 -0.157200D+02
      5   0.107293D+01  0.492158D+01 -0.171711D+01 -0.174985D+02 -0.848141D+01
      6   0.769172D+01  0.162129D+02 -0.506738D+01  0.376900D+01  0.491019D+00
                76            77            78            79            80 
      1  -0.217728D+02 -0.246233D+00 -0.200157D+02 -0.408804D+01 -0.188753D+02
      2   0.138419D+02  0.469884D+00  0.104606D+02  0.657532D+01  0.876290D+01
      3   0.793090D+01 -0.223651D+00  0.955508D+01 -0.248728D+01  0.101124D+02
      4  -0.348898D+01  0.391749D+01 -0.118370D+01 -0.184828D+02  0.107419D+01
      5  -0.210861D+02 -0.399129D+01  0.133318D+02 -0.119954D+02  0.152926D+02
      6   0.317298D+01  0.199615D+01 -0.904018D+01  0.357901D+01 -0.974484D+01
                81            82            83            84            85 
      1  -0.242438D+01  0.402324D+01 -0.189445D+02  0.389072D+01 -0.191352D+02
      2  -0.211847D+01 -0.104383D+02  0.202883D+01 -0.111759D+02 -0.153246D+00
      3   0.454284D+01  0.641506D+01  0.169157D+02  0.728516D+01  0.192885D+02
      4   0.158728D+02 -0.123747D+02 -0.140744D+02 -0.481183D+01 -0.139617D+02
      5   0.381799D+01  0.353333D+00  0.109577D+01 -0.515527D+01 -0.134881D+01
      6  -0.352804D-01  0.773166D+01 -0.710238D+01  0.615297D+01 -0.682458D+01
                86            87            88            89            90 
      1  -0.197518D+01 -0.282646D+01  0.174581D+01 -0.393401D+01 -0.196345D+01
      2  -0.410418D+01  0.100936D+02 -0.117237D+02  0.761902D+01  0.144522D+02
      3   0.607936D+01 -0.726718D+01  0.997786D+01 -0.368502D+01 -0.124887D+02
      4  -0.439665D+01 -0.734680D+01 -0.860061D+01 -0.989050D+01  0.928113D+01
      5  -0.333851D+01  0.176461D+02 -0.563815D+01  0.154954D+02  0.891813D+01
      6  -0.658960D+00  0.529202D+01  0.685569D+01  0.599685D+01 -0.764876D+01
                91            92            93            94            95 
      1  -0.643601D+00 -0.665926D+00 -0.593662D-01 -0.758657D+00 -0.490539D+01
      2  -0.430255D+01  0.125966D+01 -0.164373D+01  0.243098D+01 -0.144009D+01
      3   0.494615D+01 -0.593736D+00  0.170309D+01 -0.167232D+01  0.634547D+01
      4  -0.259264D+00  0.207608D+01  0.868317D+00  0.152379D+01 -0.499906D-01
      5   0.190234D+01 -0.125976D+01  0.826193D+01 -0.276789D+01  0.241117D+01
      6  -0.843186D+00  0.116204D+01  0.612156D+00  0.262888D+01 -0.319625D+01
                96            97            98            99           100 
      1   0.712393D+01 -0.197286D+01  0.295232D+01 -0.210137D+02  0.189820D+00
      2   0.840389D+01 -0.178354D+01  0.447388D+01 -0.197476D+02  0.466556D+01
      3  -0.155278D+02  0.375641D+01 -0.742619D+01  0.407613D+02 -0.485538D+01
      4   0.203985D+01  0.836050D+00  0.163062D+01 -0.110062D+01  0.884754D+01
      5  -0.384214D+01  0.691423D+01 -0.896739D+00  0.853074D+01  0.503670D+01
      6   0.601999D+01  0.383629D-01  0.565954D+01  0.219378D+00  0.571275D+01
               101           102           103           104           105 
      1  -0.284503D+01 -0.204829D+01 -0.314462D+01 -0.178555D+02 -0.690298D+01
      2   0.632184D+01  0.974011D+00  0.649492D+01  0.282045D+02  0.696933D+01
      3  -0.347681D+01  0.107428D+01 -0.335030D+01 -0.103489D+02 -0.663525D-01
      4   0.115719D+02  0.414054D+01  0.107230D+02  0.151177D+02  0.490638D+01
      5   0.600002D+01  0.489851D+01  0.516316D+01  0.633905D+01  0.397548D+01
      6   0.708355D+01  0.530465D+01  0.619162D+01  0.213830D+02  0.124613D+02
               106           107           108           109           110 
      1  -0.250863D+01 -0.369997D+01 -0.605972D+01  0.178758D+01 -0.295608D+01
      2   0.314161D+00  0.215241D+01  0.202942D+01  0.877958D+01  0.135331D+02
      3   0.219447D+01  0.154756D+01  0.403030D+01 -0.105672D+02 -0.105771D+02
      4   0.153589D+01  0.245369D+01  0.340290D+01  0.206932D+02  0.181968D+02
      5   0.261976D+01  0.301817D+01  0.341122D+01 -0.201418D+00 -0.239959D+00
      6   0.376765D+01  0.879253D+01  0.622129D+01  0.174301D+01  0.982748D+00
               111           112           113           114           115 
      1   0.706412D-01 -0.162329D+01 -0.497473D+01 -0.161329D+00 -0.231398D+00
      2  -0.411968D+00  0.783477D+01  0.139781D+02  0.381014D+00  0.119695D+01
      3   0.341327D+00 -0.621149D+01 -0.900338D+01 -0.219685D+00 -0.965557D+00
      4   0.397367D+00  0.117641D+02  0.115182D+02  0.809055D-01  0.264870D+01
      5   0.194117D+01 -0.327688D+00  0.155124D+00  0.851869D+00  0.266259D+01
      6   0.302532D+01  0.719393D+00  0.113145D+01  0.252746D+01  0.318842D+01
               116           117           118           119           120 
      1  -0.897825D+00 -0.765689D+00 -0.219778D+01 -0.190631D+01  0.434952D+01
      2   0.195884D+01  0.100487D+01  0.114329D+01  0.116853D+01 -0.169369D+01
      3  -0.106102D+01 -0.239185D+00  0.105448D+01  0.737771D+00 -0.265583D+01
      4   0.242309D+01  0.288468D+01  0.917890D+00  0.145033D+01 -0.209076D+00
      5   0.181280D+01  0.464637D+00  0.169570D+01  0.635202D+00  0.118554D+01
      6   0.391414D+01  0.293627D+00 -0.178211D+01 -0.108641D+01  0.773847D+00
               121           122           123           124           125 
      1  -0.311524D+01 -0.904591D+01  0.834545D+01  0.605479D+01  0.852154D+01
      2   0.971084D+00  0.120704D+02 -0.580222D+01 -0.309360D+01 -0.583025D+01
      3   0.214415D+01 -0.302445D+01 -0.254323D+01 -0.296119D+01 -0.269129D+01
      4   0.616813D+01 -0.161710D+02  0.918977D+01 -0.293418D+01  0.102820D+02
      5  -0.977954D+00  0.969142D+01 -0.113584D+02  0.562002D+01 -0.114033D+02
      6   0.681143D+00 -0.115699D+02  0.112587D+02 -0.128982D+01  0.118099D+02
               126           127           128           129           130 
      1  -0.864349D+01  0.162805D+02 -0.490524D+01 -0.684864D+01 -0.474317D+01
      2   0.916561D+00 -0.700164D+01 -0.290777D+00  0.212079D+01 -0.135469D+01
      3   0.772693D+01 -0.927887D+01  0.519602D+01  0.472785D+01  0.609786D+01
      4  -0.106447D+02 -0.103117D+02  0.988403D+01  0.810457D+01  0.127768D+02
      5   0.146086D+02 -0.911093D+01  0.693735D+01  0.102309D+02  0.776270D+01
      6  -0.123692D+02  0.419740D+01 -0.263170D+01 -0.301677D+01 -0.363665D+01
               131           132           133           134           135 
      1   0.203327D+01  0.296981D+01 -0.124203D+02  0.436166D+01  0.352539D+01
      2   0.548489D+01  0.128132D+01  0.498421D+01  0.145823D+01 -0.271002D+01
      3  -0.751816D+01 -0.425113D+01  0.743605D+01 -0.581989D+01 -0.815371D+00
      4  -0.164208D+02 -0.875007D+01  0.134204D+02 -0.130280D+02 -0.121182D+02
      5  -0.793904D+01 -0.985341D+01  0.145304D+02 -0.113926D+02 -0.211852D+02
      6   0.598879D+01  0.747163D+01 -0.542059D+01  0.827657D+01  0.996539D+01
               136           137           138           139           140 
      1   0.454872D+02  0.118285D+02  0.112979D+02  0.223789D+02  0.903227D+01
      2  -0.267930D+02 -0.762258D+01 -0.883739D+01 -0.133949D+02 -0.494550D+01
      3  -0.186942D+02 -0.420596D+01 -0.246047D+01 -0.898400D+01 -0.408677D+01
      4   0.857452D+01  0.971334D+01  0.380762D+01  0.116770D+02  0.121621D+02
      5   0.161431D+02  0.590476D+01  0.126037D+02  0.992248D+01  0.568895D+01
      6   0.153503D+01  0.112646D+01  0.249902D+00  0.188115D+01  0.253049D+01
               141           142           143           144           145 
      1   0.625314D+01  0.122308D+02  0.431268D+01  0.789007D+01 -0.927243D+01
      2  -0.533601D+01 -0.984460D+01 -0.356626D+01 -0.713497D+01  0.769346D+01
      3  -0.917129D+00 -0.238620D+01 -0.746426D+00 -0.755093D+00  0.157898D+01
      4   0.425552D+01  0.399160D+01  0.386191D+01  0.144423D+01 -0.710067D+01
      5   0.647626D+01  0.145902D+02  0.282172D+01  0.101181D+02  0.839675D+01
      6   0.318812D+01  0.360668D+00  0.338260D+01  0.100943D+01 -0.695895D+01
               146           147           148           149           150 
      1   0.126725D+02 -0.807124D+01  0.100030D+02 -0.147240D+02  0.781936D+01
      2  -0.105153D+02  0.292576D+01 -0.791511D+01  0.168939D+02 -0.544519D+01
      3  -0.215728D+01  0.514548D+01 -0.208790D+01 -0.216989D+01 -0.237418D+01
      4   0.452223D+01 -0.721784D+00  0.598818D+01 -0.539875D-01  0.684494D+00
      5  -0.336635D+01  0.217662D+01 -0.382774D+01  0.233094D+01 -0.197335D+01
      6   0.985483D+01 -0.858915D+01  0.641324D+01 -0.130632D+02  0.843389D+01
               151           152           153           154           155 
      1  -0.489473D+01  0.693181D+01 -0.779142D+01  0.202826D+02  0.931057D+01
      2   0.230914D+01 -0.364146D+01  0.239872D+00 -0.125816D+01  0.503035D+01
      3   0.258559D+01 -0.329035D+01  0.755155D+01 -0.190244D+02 -0.143409D+02
      4  -0.777882D+00  0.141267D+01 -0.195842D+01  0.248064D+02  0.208048D+02
      5   0.353931D+01 -0.206549D+01  0.116866D+00 -0.737565D+01 -0.491544D+01
      6  -0.551217D+01  0.753031D+01 -0.689941D+01 -0.409007D+01 -0.360044D+01
               156           157           158           159           160 
      1   0.177678D+01  0.854065D+01  0.177486D+01  0.135060D+01  0.501326D+01
      2   0.233279D+01  0.551590D+01  0.140923D+02  0.499858D+00  0.141450D+01
      3  -0.410957D+01 -0.140566D+02 -0.158671D+02 -0.185046D+01 -0.642776D+01
      4   0.533362D+00  0.199800D+02  0.229157D+02  0.924759D+00  0.578355D+01
      5   0.624865D+01 -0.465267D+01 -0.366595D+01  0.198401D+01  0.390616D+01
      6   0.360614D+01 -0.314562D+01 -0.596886D+01  0.387315D+01  0.222709D+01
               161           162           163           164           165 
      1   0.147992D+01  0.257326D+01  0.428145D+01  0.176666D+00 -0.355084D+01
      2   0.276651D+01 -0.553206D+00 -0.697959D+01  0.235503D+01  0.948289D+01
      3  -0.424643D+01 -0.202006D+01  0.269814D+01 -0.253170D+01 -0.593205D+01
      4   0.601434D+01  0.373609D+01  0.129098D+01  0.395302D+01 -0.102713D+00
      5   0.116797D+01  0.994278D+00 -0.107183D+02  0.225607D+01  0.134233D+02
      6   0.238910D+01  0.243374D+01 -0.980202D+00 -0.105384D+01  0.619233D+00
               166           167           168           169           170 
      1  -0.127484D+01 -0.294776D+00 -0.146212D+01 -0.288523D+01  0.414925D+00
      2   0.466013D+01 -0.406279D+01 -0.939239D+01  0.106761D+02 -0.646387D+01
      3  -0.338529D+01  0.435756D+01  0.108545D+02 -0.779088D+01  0.604895D+01
      4   0.332830D+01 -0.412828D+01 -0.274071D+01 -0.315805D+00 -0.331489D+01
      5   0.632185D+01 -0.465423D+01 -0.106498D+02  0.144613D+02 -0.507858D+01
      6  -0.997807D+00  0.514070D+01  0.391299D+01  0.781714D+00  0.528091D+01
               171 
      1  -0.904929D+01
      2  -0.238628D+02
      3   0.329120D+02
      4  -0.163822D+01
      5  -0.266563D+02
      6  -0.353532D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 16:17:00 2021, MaxMem= 10737418240 cpu:           13374.0 elap:             837.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51701 -19.49147 -19.46424 -10.58284 -10.51752
 Alpha  occ. eigenvalues --  -10.50940 -10.47637 -10.44916 -10.44261  -1.25109
 Alpha  occ. eigenvalues --   -1.17403  -1.16160  -0.97901  -0.86957  -0.84220
 Alpha  occ. eigenvalues --   -0.83741  -0.72222  -0.70111  -0.66922  -0.64054
 Alpha  occ. eigenvalues --   -0.61896  -0.59840  -0.57926  -0.55295  -0.54495
 Alpha  occ. eigenvalues --   -0.53176  -0.51668  -0.51225  -0.50462  -0.47885
 Alpha  occ. eigenvalues --   -0.46020  -0.45062  -0.43048  -0.41965  -0.38633
 Alpha virt. eigenvalues --    0.03299   0.04904   0.06054   0.06344   0.07325
 Alpha virt. eigenvalues --    0.08904   0.09364   0.10024   0.11311   0.11514
 Alpha virt. eigenvalues --    0.13527   0.14384   0.14843   0.15275   0.16221
 Alpha virt. eigenvalues --    0.16684   0.17082   0.19177   0.19625   0.20645
 Alpha virt. eigenvalues --    0.21079   0.22128   0.22662   0.23195   0.23790
 Alpha virt. eigenvalues --    0.25154   0.25312   0.26428   0.28213   0.28290
 Alpha virt. eigenvalues --    0.29280   0.30289   0.30855   0.31261   0.33180
 Alpha virt. eigenvalues --    0.33648   0.34169   0.34772   0.35126   0.35287
 Alpha virt. eigenvalues --    0.35463   0.36553   0.37164   0.37872   0.38141
 Alpha virt. eigenvalues --    0.38500   0.38835   0.39591   0.40496   0.41452
 Alpha virt. eigenvalues --    0.41717   0.41917   0.42139   0.43376   0.44325
 Alpha virt. eigenvalues --    0.45053   0.45220   0.45705   0.46426   0.46979
 Alpha virt. eigenvalues --    0.47614   0.48324   0.48988   0.49789   0.50380
 Alpha virt. eigenvalues --    0.51032   0.51899   0.52243   0.53258   0.53469
 Alpha virt. eigenvalues --    0.54439   0.55611   0.56032   0.56240   0.56858
 Alpha virt. eigenvalues --    0.57249   0.58127   0.59401   0.59640   0.60563
 Alpha virt. eigenvalues --    0.61040   0.62004   0.62303   0.62450   0.63386
 Alpha virt. eigenvalues --    0.65403   0.65680   0.66281   0.68598   0.69178
 Alpha virt. eigenvalues --    0.69449   0.70674   0.71221   0.72371   0.73183
 Alpha virt. eigenvalues --    0.75239   0.75870   0.76442   0.77322   0.77678
 Alpha virt. eigenvalues --    0.79330   0.79933   0.81138   0.82730   0.83980
 Alpha virt. eigenvalues --    0.85820   0.86092   0.87272   0.88774   0.90516
 Alpha virt. eigenvalues --    0.93051   0.94755   0.96107   0.96992   0.99664
 Alpha virt. eigenvalues --    1.00670   1.03386   1.04250   1.05039   1.07260
 Alpha virt. eigenvalues --    1.07593   1.08973   1.09291   1.10320   1.11640
 Alpha virt. eigenvalues --    1.11987   1.14719   1.16706   1.20405   1.20979
 Alpha virt. eigenvalues --    1.23366   1.24363   1.26555   1.28442   1.31244
 Alpha virt. eigenvalues --    1.34810   1.36633   1.39601   1.39919   1.41710
 Alpha virt. eigenvalues --    1.44710   1.46361   1.47122   1.47912   1.49350
 Alpha virt. eigenvalues --    1.53637   1.54925   1.58823   1.61807   1.62642
 Alpha virt. eigenvalues --    1.67771   1.69709   1.70573   1.73283   1.75423
 Alpha virt. eigenvalues --    1.77819   1.81264   1.82160   1.84499   1.85759
 Alpha virt. eigenvalues --    1.88113   1.89998   1.90822   1.93059   1.93954
 Alpha virt. eigenvalues --    1.96033   1.97474   1.98131   1.99434   2.00530
 Alpha virt. eigenvalues --    2.04179   2.05044   2.06023   2.09813   2.10008
 Alpha virt. eigenvalues --    2.10225   2.13485   2.13930   2.14955   2.16704
 Alpha virt. eigenvalues --    2.17629   2.20363   2.21571   2.24267   2.25275
 Alpha virt. eigenvalues --    2.26760   2.28546   2.30969   2.32899   2.34617
 Alpha virt. eigenvalues --    2.36023   2.39094   2.39634   2.42202   2.42786
 Alpha virt. eigenvalues --    2.46260   2.47398   2.49089   2.53800   2.57679
 Alpha virt. eigenvalues --    2.58177   2.64891   2.65580   2.67023   2.71034
 Alpha virt. eigenvalues --    2.72069   2.74675   2.78658   2.81308   2.91245
 Alpha virt. eigenvalues --    2.96360   2.98226   3.03839   3.04526   3.06867
 Alpha virt. eigenvalues --    3.11069   3.11497   3.14763   3.15668   3.19604
 Alpha virt. eigenvalues --    3.19899   3.21945   3.22466   3.25081   3.26685
 Alpha virt. eigenvalues --    3.29770   3.33259   3.37220   3.46237   3.56070
 Alpha virt. eigenvalues --    3.60716   3.80963   3.90390   4.00265
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.498263  -0.057058   0.029500  -0.002673  -0.016647   0.212778
     2  C   -0.057058   6.234693   0.396837  -0.484046  -0.253501  -0.112669
     3  O    0.029500   0.396837   7.779672  -0.043189   0.059391  -0.012050
     4  C   -0.002673  -0.484046  -0.043189   6.259578  -0.711762   0.107017
     5  C   -0.016647  -0.253501   0.059391  -0.711762  14.070802  -0.629160
     6  C    0.212778  -0.112669  -0.012050   0.107017  -0.629160   4.773052
     7  O   -0.021468  -0.068274   0.025306   0.185975  -0.043373  -0.089187
     8  H    0.031107   0.043525  -0.055093   0.134663  -0.495955   0.062232
     9  C   -0.010080   0.080845  -0.006431  -0.004659  -1.603992   0.072348
    10  C    0.012580   0.010704  -0.000810  -0.079872   0.034429  -0.019508
    11  H   -0.058847   0.033558  -0.017183   0.023901  -0.018491   0.307891
    12  H   -0.104344   0.031035   0.007543   0.059094  -0.314300   0.125965
    13  H    0.015739  -0.071232  -0.015683   0.131535   0.015360   0.013253
    14  H   -0.009765   0.030260  -0.001851  -0.046333  -0.465031   0.038350
    15  H   -0.000001  -0.005743   0.000241   0.027426   0.332469  -0.005271
    16  H    0.002810  -0.010232   0.000545   0.010572   0.249585  -0.001309
    17  H   -0.009904   0.024326  -0.002498  -0.100603   0.264440  -0.061367
    18  H   -0.001869   0.010372  -0.002101   0.059176  -0.144876   0.050845
    19  H   -0.008379   0.011748  -0.000869   0.019629  -0.046525   0.020720
               7          8          9         10         11         12
     1  O   -0.021468   0.031107  -0.010080   0.012580  -0.058847  -0.104344
     2  C   -0.068274   0.043525   0.080845   0.010704   0.033558   0.031035
     3  O    0.025306  -0.055093  -0.006431  -0.000810  -0.017183   0.007543
     4  C    0.185975   0.134663  -0.004659  -0.079872   0.023901   0.059094
     5  C   -0.043373  -0.495955  -1.603992   0.034429  -0.018491  -0.314300
     6  C   -0.089187   0.062232   0.072348  -0.019508   0.307891   0.125965
     7  O    8.077264  -0.063098   0.023366   0.024331  -0.055925   0.007354
     8  H   -0.063098   1.190922   0.117555  -0.027503   0.007321   0.002996
     9  C    0.023366   0.117555   5.541921  -0.069401  -0.063236   0.142038
    10  C    0.024331  -0.027503  -0.069401   4.423095   0.019722  -0.075927
    11  H   -0.055925   0.007321  -0.063236   0.019722   1.164587  -0.303275
    12  H    0.007354   0.002996   0.142038  -0.075927  -0.303275   1.428919
    13  H    0.173235  -0.020070  -0.010502  -0.003612   0.004506  -0.001615
    14  H   -0.001586   0.028725   0.617109   0.013589   0.004098   0.018507
    15  H   -0.028356  -0.009827  -0.073308  -0.001645   0.002552  -0.001957
    16  H    0.004016   0.002720   0.009136   0.005785  -0.012139  -0.002226
    17  H    0.001228  -0.019565  -0.013922   0.307778   0.001476  -0.032829
    18  H   -0.003289   0.019729   0.068357   0.005478  -0.000267   0.029771
    19  H    0.008852   0.019540   0.032648   0.100970  -0.002811   0.012093
              13         14         15         16         17         18
     1  O    0.015739  -0.009765  -0.000001   0.002810  -0.009904  -0.001869
     2  C   -0.071232   0.030260  -0.005743  -0.010232   0.024326   0.010372
     3  O   -0.015683  -0.001851   0.000241   0.000545  -0.002498  -0.002101
     4  C    0.131535  -0.046333   0.027426   0.010572  -0.100603   0.059176
     5  C    0.015360  -0.465031   0.332469   0.249585   0.264440  -0.144876
     6  C    0.013253   0.038350  -0.005271  -0.001309  -0.061367   0.050845
     7  O    0.173235  -0.001586  -0.028356   0.004016   0.001228  -0.003289
     8  H   -0.020070   0.028725  -0.009827   0.002720  -0.019565   0.019729
     9  C   -0.010502   0.617109  -0.073308   0.009136  -0.013922   0.068357
    10  C   -0.003612   0.013589  -0.001645   0.005785   0.307778   0.005478
    11  H    0.004506   0.004098   0.002552  -0.012139   0.001476  -0.000267
    12  H   -0.001615   0.018507  -0.001957  -0.002226  -0.032829   0.029771
    13  H    0.589536  -0.002124   0.003063  -0.000013   0.000295  -0.000197
    14  H   -0.002124   0.906847  -0.116926  -0.095907  -0.001328   0.009791
    15  H    0.003063  -0.116926   0.722693  -0.007619  -0.000585  -0.023476
    16  H   -0.000013  -0.095907  -0.007619   0.715460  -0.001393   0.018106
    17  H    0.000295  -0.001328  -0.000585  -0.001393   0.770288  -0.099215
    18  H   -0.000197   0.009791  -0.023476   0.018106  -0.099215   0.909686
    19  H   -0.001514   0.007866   0.009879  -0.017668  -0.098749  -0.042656
              19
     1  O   -0.008379
     2  C    0.011748
     3  O   -0.000869
     4  C    0.019629
     5  C   -0.046525
     6  C    0.020720
     7  O    0.008852
     8  H    0.019540
     9  C    0.032648
    10  C    0.100970
    11  H   -0.002811
    12  H    0.012093
    13  H   -0.001514
    14  H    0.007866
    15  H    0.009879
    16  H   -0.017668
    17  H   -0.098749
    18  H   -0.042656
    19  H    0.842969
 Mulliken charges:
               1
     1  O   -0.501743
     2  C    0.154851
     3  O   -0.141276
     4  C    0.454572
     5  C   -4.282863
     6  C    1.146070
     7  O   -0.156371
     8  H    0.030078
     9  C    1.150209
    10  C    1.319817
    11  H   -0.037436
    12  H   -0.028839
    13  H    0.180040
    14  H    0.065711
    15  H    0.176390
    16  H    0.129771
    17  H    0.072125
    18  H    0.136635
    19  H    0.132259
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.501743
     2  C    0.154851
     3  O   -0.141276
     4  C    0.484649
     5  C   -4.282863
     6  C    1.079795
     7  O    0.023669
     9  C    1.522082
    10  C    1.660835
 Electronic spatial extent (au):  <R**2>=           1088.1948
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.8214    Y=              0.2207    Z=              0.3066  Tot=              3.8401
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -62.4576   YY=            -53.7228   ZZ=            -52.7060
   XY=              5.8646   XZ=             -0.5609   YZ=              1.0390
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.1621   YY=              2.5726   ZZ=              3.5895
   XY=              5.8646   XZ=             -0.5609   YZ=              1.0390
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -20.8839  YYY=              5.1476  ZZZ=             -2.7743  XYY=              8.8466
  XXY=              8.7474  XXZ=             -6.2297  XZZ=             -0.4650  YZZ=              1.3780
  YYZ=              1.6339  XYZ=             -2.8284
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -829.7096 YYYY=           -378.0550 ZZZZ=           -249.1265 XXXY=             15.5876
 XXXZ=            -15.9133 YYYX=             30.5310 YYYZ=              5.8213 ZZZX=              0.3745
 ZZZY=              5.4789 XXYY=           -175.0435 XXZZ=           -172.2324 YYZZ=           -107.2654
 XXYZ=             -0.3093 YYXZ=              5.0769 ZZXY=             -0.0066
 N-N= 4.970319268020D+02 E-N=-2.066078003265D+03  KE= 4.547187127354D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 16:17:01 2021, MaxMem= 10737418240 cpu:               4.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.38050933D+00 1.20939964D-01 9.20778122D-02
 Polarizability= 8.73560390D+01 2.37664587D+00 7.40382106D+01
                 4.08341163D+00 1.01509089D+00 7.13563145D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.0218   -2.0248        1.0836    1.0841
 2      2.0218    2.0248       -0.5727   -0.5712       -6.8755   -6.8749
 3     -1.0836   -1.0841        8.0750    8.0778        0.5735    0.5712
 4      0.5727    0.5712        0.0000    0.0000       -1.0853   -1.0841
 5     -1.1995   -1.2029        1.0853    1.0841       -2.0214   -2.0248
 6     -0.5735   -0.5712        2.0214    2.0248       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        6.0745    6.0745        3.2524    3.2524
 2      1.7136    1.7136        0.0000    0.0000        3.2524    3.2524
 3      1.7136    1.7136        6.0745    6.0745       -0.0000    0.0000
 4      6.0745    6.0745       -1.7136   -1.7136      -20.6248  -20.6248
 5     -3.2524   -3.2524       24.2335   24.2335        1.7136    1.7136
 6     -3.6087   -3.6087        3.2524    3.2524       -6.0745   -6.0745
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1707    0.0000        8.1151    8.0994       -4.1491   -4.3366
 2     -8.2458   -8.0994        2.3321    2.2849       27.7152   27.4997
 3      4.2131    4.3366      -31.7346  -32.3114       -2.1536   -2.2849
 4     -2.2274   -2.2849        0.0529    0.0000        4.3344    4.3366
 5      4.9520    4.8117       -3.9836   -4.3366        8.1556    8.0994
 6      2.3121    2.2849       -8.0162   -8.0994       -0.0325    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1185    0.0000       -5.6679   -6.0717      -12.7322  -12.8711
 2      6.0298    6.0717        2.1504    2.1608       -6.1826   -6.1901
 3     12.6866   12.8711      -22.0721  -22.3627       -1.0208   -2.1608
 4     -1.7406   -2.1608       -0.1139    0.0000       12.6859   12.8711
 5     28.2065   28.5528      -12.3048  -12.8711       -5.3602   -6.0717
 6      1.6894    2.1608        5.6686    6.0717        0.1826    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.8646    5.0577       -4.9638   -4.7235       27.2489   27.2059
 2      4.9851    4.6148       -8.0271   -8.1437       27.1469   27.2059
 3      5.1191    4.6148       -5.1044   -4.7235       39.0143   39.3363
 4      3.2555    3.4202        0.4633    0.4429      -16.5313  -16.4397
 5     11.7802   12.1304      -26.2981  -26.7870        0.7995   -0.4429
 6     42.9750   43.2267      -11.4312  -12.1304       -2.6402   -3.4202
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.5123   -3.5133   -0.0002    0.0004    0.0006    7.4972
 Low frequencies ---   79.8270  183.5030  209.6441
 Diagonal vibrational polarizability:
       11.1112142      31.7701491      20.4269910
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.8238               183.5024               209.6440
 Red. masses --      5.3286                 3.6827                 1.1920
 Frc consts  --      0.0200                 0.0731                 0.0309
 IR Inten    --      3.4978                 0.6266                 0.1246
 RamAct Fr= 1--      0.6038                 0.6093                 0.1532
  Dep-P Fr= 1--      0.7496                 0.7148                 0.7186
  Dep-U Fr= 1--      0.8569                 0.8337                 0.8362
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0001
 Beta2  Fr= 1--      0.0862                 0.0847                 0.0214
 AlphaG Fr= 1--      0.0002                -0.0034                -0.0007
 Gamma2 Fr= 1--     -0.0879                 0.1611                 0.0898
 Delta2 Fr= 1--     -0.0534                 0.0005                 0.0157
 Raman1 Fr= 1--       2.415                  2.437                  0.613
 ROA1   Fr= 1--     -10.150                 15.485                  9.118
 CID1   Fr= 1--      -4.203                  6.354                 14.880
 Raman2 Fr= 1--       1.035                  1.016                  0.256
 ROA2   Fr= 1--      -1.683                  3.863                  2.028
 CID2   Fr= 1--      -1.626                  3.803                  7.917
 Raman3 Fr= 1--       2.069                  2.032                  0.512
 ROA3   Fr= 1--     -10.150                 15.485                  9.118
 CID3   Fr= 1--      -4.905                  7.622                 17.794
 RC180  Fr= 1--       0.714                  0.667                  0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.11   0.06    -0.06  -0.17   0.23     0.02   0.00  -0.00
     2   6     0.03   0.01  -0.07    -0.01  -0.01   0.05     0.01   0.00   0.00
     3   8     0.08   0.19  -0.26     0.02   0.16  -0.09     0.00   0.02   0.01
     4   6     0.01  -0.08   0.06    -0.01   0.01   0.01    -0.01  -0.02  -0.00
     5   6    -0.01  -0.03  -0.01    -0.02   0.02  -0.01     0.00  -0.02  -0.01
     6   6    -0.00  -0.15   0.07     0.03   0.11  -0.03     0.01  -0.01  -0.01
     7   8    -0.01   0.05   0.27     0.05  -0.05  -0.08    -0.04  -0.03  -0.02
     8   1     0.03  -0.25   0.09    -0.04   0.07  -0.00    -0.02  -0.01  -0.00
     9   6     0.08   0.04  -0.16    -0.02   0.06   0.10     0.04   0.06   0.05
    10   6    -0.19   0.06   0.02    -0.00  -0.12  -0.14    -0.03  -0.03  -0.03
    11   1    -0.01  -0.25   0.01     0.31   0.27   0.05     0.02  -0.01  -0.01
    12   1     0.00  -0.17   0.17    -0.10   0.21  -0.27     0.03  -0.02  -0.02
    13   1     0.03  -0.03   0.28     0.11  -0.13  -0.17    -0.06   0.01  -0.01
    14   1     0.20  -0.03  -0.20    -0.03   0.20   0.23    -0.07  -0.26  -0.30
    15   1     0.05   0.14  -0.24    -0.03  -0.09   0.20     0.43   0.47  -0.02
    16   1     0.07   0.07  -0.18    -0.02   0.12  -0.01    -0.22   0.08   0.55
    17   1    -0.25   0.02   0.13    -0.03  -0.24  -0.31    -0.01   0.04   0.07
    18   1    -0.20   0.09  -0.02    -0.08  -0.00  -0.20     0.06  -0.10  -0.10
    19   1    -0.24   0.14  -0.05     0.10  -0.25  -0.02    -0.17  -0.04  -0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    218.4362               250.2513               278.6421
 Red. masses --      2.8721                 1.2778                 2.6334
 Frc consts  --      0.0807                 0.0472                 0.1205
 IR Inten    --      1.3322                 1.3949                13.9168
 RamAct Fr= 1--      0.1815                 0.2992                 0.3970
  Dep-P Fr= 1--      0.7452                 0.7487                 0.7023
  Dep-U Fr= 1--      0.8540                 0.8563                 0.8251
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0003
 Beta2  Fr= 1--      0.0258                 0.0427                 0.0546
 AlphaG Fr= 1--     -0.0005                 0.0002                 0.0007
 Gamma2 Fr= 1--     -0.0852                -0.0044                 0.0527
 Delta2 Fr= 1--      0.0663                 0.0430                -0.1670
 Raman1 Fr= 1--       0.726                  1.197                  1.588
 ROA1   Fr= 1--      -6.059                  0.957                 -0.286
 CID1   Fr= 1--      -8.346                  0.800                 -0.180
 Raman2 Fr= 1--       0.310                  0.512                  0.655
 ROA2   Fr= 1--      -2.576                 -0.449                  2.601
 CID2   Fr= 1--      -8.309                 -0.877                  3.970
 Raman3 Fr= 1--       0.620                  1.025                  1.310
 ROA3   Fr= 1--      -6.059                  0.957                 -0.286
 CID3   Fr= 1--      -9.773                  0.934                 -0.218
 RC180  Fr= 1--       0.708                  0.713                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.07  -0.14   0.10     0.01  -0.03   0.02    -0.02   0.05  -0.04
     2   6    -0.02  -0.03  -0.03     0.01   0.01  -0.02    -0.07  -0.00   0.03
     3   8    -0.02  -0.08  -0.01    -0.01  -0.03   0.03    -0.07   0.11   0.01
     4   6     0.00   0.06  -0.05     0.00   0.02  -0.03    -0.04  -0.02   0.02
     5   6     0.01   0.04  -0.06     0.01   0.00  -0.02    -0.04   0.00  -0.03
     6   6     0.00   0.04  -0.05     0.01  -0.04  -0.00    -0.04  -0.02  -0.02
     7   8    -0.01   0.15   0.11    -0.08   0.06   0.02     0.25  -0.02   0.04
     8   1     0.00  -0.05  -0.03     0.01  -0.02  -0.03    -0.11  -0.04   0.02
     9   6    -0.07  -0.08  -0.05     0.02   0.02  -0.00    -0.10  -0.08  -0.03
    10   6     0.18   0.05  -0.01     0.04   0.00  -0.02     0.05   0.01   0.01
    11   1     0.16   0.10  -0.02     0.01  -0.08  -0.03    -0.08  -0.06  -0.04
    12   1    -0.11   0.10  -0.15     0.01  -0.05   0.04    -0.00  -0.04   0.04
    13   1    -0.04   0.17   0.21    -0.12   0.13   0.07     0.39  -0.30   0.01
    14   1    -0.20  -0.21  -0.23     0.01  -0.03  -0.06    -0.22  -0.28  -0.26
    15   1     0.02   0.08  -0.11     0.11   0.09  -0.01     0.05   0.15  -0.10
    16   1    -0.09  -0.18   0.17    -0.03   0.03   0.09    -0.16  -0.18   0.27
    17   1     0.33   0.33   0.14    -0.09  -0.35  -0.41     0.03  -0.13  -0.21
    18   1     0.41  -0.23  -0.01    -0.33   0.35   0.18    -0.12   0.14   0.17
    19   1    -0.06   0.04  -0.10     0.55   0.01   0.17     0.34   0.02   0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    310.0365               349.9609               367.2846
 Red. masses --      2.2932                 2.3697                 2.3850
 Frc consts  --      0.1299                 0.1710                 0.1896
 IR Inten    --      3.0351                 4.1394                 1.1630
 RamAct Fr= 1--      1.1588                 1.1105                 0.5901
  Dep-P Fr= 1--      0.6243                 0.3070                 0.5564
  Dep-U Fr= 1--      0.7687                 0.4698                 0.7150
 Alpha2 Fr= 1--      0.0027                 0.0112                 0.0022
 Beta2  Fr= 1--      0.1485                 0.0870                 0.0703
 AlphaG Fr= 1--      0.0079                -0.0030                -0.0083
 Gamma2 Fr= 1--      0.1739                 0.1718                -0.1898
 Delta2 Fr= 1--      0.0635                 0.1371                -0.0573
 Raman1 Fr= 1--       4.635                  4.442                  2.360
 ROA1   Fr= 1--      18.725                 20.882                -20.053
 CID1   Fr= 1--       4.040                  4.701                 -8.496
 Raman2 Fr= 1--       1.782                  1.044                  0.844
 ROA2   Fr= 1--       3.666                  3.027                 -4.096
 CID2   Fr= 1--       2.058                  2.901                 -4.854
 Raman3 Fr= 1--       3.563                  2.087                  1.688
 ROA3   Fr= 1--      18.725                 20.882                -20.053
 CID3   Fr= 1--       5.255                 10.006                -11.882
 RC180  Fr= 1--       0.537                 -0.060                  0.430
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.03   0.02     0.06  -0.02   0.00     0.05  -0.06  -0.04
     2   6     0.06  -0.01   0.02     0.05   0.02  -0.03    -0.01  -0.05  -0.01
     3   8     0.09  -0.07  -0.07     0.04  -0.03   0.02    -0.04   0.08   0.04
     4   6     0.04   0.01   0.07     0.04   0.04  -0.07    -0.03  -0.10  -0.03
     5   6     0.01   0.02   0.07     0.02   0.02  -0.06    -0.01  -0.06  -0.07
     6   6     0.03   0.17   0.00     0.04  -0.08  -0.00     0.06   0.06  -0.14
     7   8    -0.04  -0.04  -0.02     0.07   0.08  -0.01    -0.03  -0.10   0.02
     8   1     0.07   0.06   0.06     0.02   0.00  -0.06    -0.06  -0.15  -0.02
     9   6    -0.06  -0.14  -0.07    -0.12  -0.08   0.16    -0.00   0.01   0.06
    10   6    -0.11   0.03   0.04    -0.15   0.06  -0.07     0.01   0.15   0.10
    11   1     0.12   0.38   0.13     0.02  -0.19  -0.08     0.19   0.26  -0.02
    12   1    -0.03   0.24  -0.23     0.07  -0.11   0.11     0.04   0.11  -0.38
    13   1    -0.04   0.02  -0.11    -0.04   0.20   0.27    -0.14   0.04   0.25
    14   1    -0.17  -0.32  -0.29    -0.39   0.05   0.20    -0.03   0.12   0.15
    15   1    -0.09   0.06  -0.21    -0.05  -0.26   0.30     0.07  -0.10   0.16
    16   1     0.01  -0.33   0.13    -0.10  -0.16   0.24    -0.05   0.09   0.02
    17   1    -0.22  -0.14   0.00    -0.25  -0.03   0.06    -0.02   0.16   0.21
    18   1    -0.25   0.20   0.05    -0.17   0.14  -0.19    -0.08   0.13   0.36
    19   1     0.02   0.08   0.06    -0.24   0.10  -0.14     0.13   0.42  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    377.1064               469.7915               543.6895
 Red. masses --      1.2292                 3.9103                 3.6256
 Frc consts  --      0.1030                 0.5085                 0.6314
 IR Inten    --    121.7275                 1.3797                 4.7780
 RamAct Fr= 1--      0.6700                 1.6484                 1.2403
  Dep-P Fr= 1--      0.7326                 0.6019                 0.2168
  Dep-U Fr= 1--      0.8456                 0.7515                 0.3564
 Alpha2 Fr= 1--      0.0002                 0.0045                 0.0161
 Beta2  Fr= 1--      0.0944                 0.2065                 0.0737
 AlphaG Fr= 1--      0.0000                -0.0095                -0.0160
 Gamma2 Fr= 1--      0.0310                 0.1001                -0.5871
 Delta2 Fr= 1--      0.0079                 0.1917                -0.2780
 Raman1 Fr= 1--       2.680                  6.594                  4.961
 ROA1   Fr= 1--       3.228                 15.749                -65.257
 CID1   Fr= 1--       1.205                  2.388                -13.153
 Raman2 Fr= 1--       1.133                  2.478                  0.884
 ROA2   Fr= 1--       0.681                  0.870                -11.866
 CID2   Fr= 1--       0.601                  0.351                -13.424
 Raman3 Fr= 1--       2.266                  4.955                  1.768
 ROA3   Fr= 1--       3.228                 15.749                -65.257
 CID3   Fr= 1--       1.424                  3.178                -36.911
 RC180  Fr= 1--       0.691                  0.503                 -0.287
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02   0.01    -0.04  -0.10  -0.06     0.00  -0.11  -0.09
     2   6    -0.00   0.00   0.02    -0.05   0.03  -0.15     0.04  -0.08  -0.09
     3   8     0.01   0.01  -0.03    -0.15   0.08   0.10    -0.04   0.13   0.12
     4   6    -0.01  -0.00   0.02     0.08   0.05  -0.10     0.15  -0.07   0.03
     5   6    -0.01   0.01   0.02     0.07  -0.09   0.12     0.07   0.18   0.07
     6   6    -0.02   0.01   0.02    -0.04   0.06  -0.01    -0.08   0.04   0.08
     7   8     0.05  -0.06  -0.06     0.08   0.14  -0.03    -0.07  -0.13   0.03
     8   1    -0.03   0.04   0.01     0.27   0.01  -0.10     0.40  -0.14   0.04
     9   6     0.00   0.01  -0.03     0.17  -0.10   0.02    -0.05   0.01  -0.01
    10   6     0.02  -0.03  -0.00    -0.11  -0.12   0.10     0.05   0.09  -0.12
    11   1    -0.04  -0.01   0.02    -0.01   0.31   0.15    -0.12  -0.09   0.01
    12   1    -0.02   0.01   0.04    -0.13   0.14  -0.25    -0.23   0.07   0.30
    13   1    -0.36   0.46   0.78     0.04   0.14   0.16    -0.14   0.06  -0.09
    14   1     0.03  -0.02  -0.05     0.31  -0.17  -0.01    -0.24  -0.04  -0.11
    15   1    -0.03   0.05  -0.06     0.12   0.00  -0.07    -0.23  -0.01  -0.09
    16   1     0.01   0.00  -0.04     0.18  -0.07  -0.03     0.14  -0.27   0.05
    17   1     0.04  -0.02  -0.05    -0.23  -0.24   0.21     0.05   0.06  -0.20
    18   1     0.03  -0.04  -0.01    -0.14   0.00  -0.07     0.10   0.12  -0.31
    19   1     0.03  -0.08   0.03    -0.21  -0.11   0.06    -0.02  -0.10  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    579.6519               688.2170               751.1844
 Red. masses --      4.0426                 7.8432                 7.2719
 Frc consts  --      0.8003                 2.1887                 2.4177
 IR Inten    --      3.9117                 7.7938                 9.0921
 RamAct Fr= 1--      8.4458                 3.1129                 4.1668
  Dep-P Fr= 1--      0.0695                 0.7495                 0.0625
  Dep-U Fr= 1--      0.1300                 0.8568                 0.1177
 Alpha2 Fr= 1--      0.1592                 0.0000                 0.0799
 Beta2  Fr= 1--      0.1830                 0.4446                 0.0818
 AlphaG Fr= 1--     -0.0144                -0.0007                -0.0166
 Gamma2 Fr= 1--     -0.0203                 0.4919                 0.9143
 Delta2 Fr= 1--     -0.0664                 0.0604                 0.3170
 Raman1 Fr= 1--      33.783                 12.452                 16.667
 ROA1   Fr= 1--      -4.074                 49.159                 97.918
 CID1   Fr= 1--      -0.121                  3.948                  5.875
 Raman2 Fr= 1--       2.196                  5.335                  0.981
 ROA2   Fr= 1--       0.044                 11.323                 19.408
 CID2   Fr= 1--       0.020                  2.123                 19.781
 Raman3 Fr= 1--       4.392                 10.669                  1.962
 ROA3   Fr= 1--      -4.074                 49.159                 97.918
 CID3   Fr= 1--      -0.928                  4.608                 49.900
 RC180  Fr= 1--      -0.740                  0.714                 -0.765
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.11   0.07   0.04     0.28  -0.13  -0.15     0.00   0.08   0.20
     2   6    -0.14   0.01   0.10    -0.23  -0.18   0.05    -0.08   0.41  -0.37
     3   8    -0.10  -0.02  -0.09    -0.24  -0.06  -0.19    -0.19  -0.15  -0.02
     4   6    -0.02   0.04   0.11    -0.13   0.13   0.14     0.08  -0.06   0.00
     5   6     0.19   0.01  -0.05     0.03   0.15   0.14    -0.01   0.01   0.02
     6   6     0.00  -0.02  -0.04     0.34  -0.02   0.09     0.19  -0.00   0.05
     7   8    -0.03  -0.06  -0.00    -0.01   0.06  -0.04     0.04  -0.20   0.05
     8   1    -0.16   0.09   0.10     0.03   0.25   0.11     0.44  -0.30   0.05
     9   6     0.25  -0.16   0.08    -0.07   0.08   0.01    -0.05   0.04  -0.01
    10   6     0.04   0.13  -0.14    -0.00  -0.00   0.05    -0.00   0.01  -0.01
    11   1    -0.06  -0.15  -0.12     0.33   0.01   0.11     0.22  -0.04   0.01
    12   1    -0.07  -0.02   0.14     0.20   0.05   0.10     0.31  -0.05   0.02
    13   1    -0.06   0.02  -0.02    -0.02   0.05   0.04    -0.00  -0.13   0.05
    14   1     0.06  -0.12   0.07    -0.10   0.05  -0.03    -0.11   0.04  -0.03
    15   1     0.25  -0.26   0.14    -0.15   0.10  -0.04    -0.09   0.02  -0.02
    16   1     0.30  -0.28   0.15     0.00  -0.02   0.02    -0.01  -0.02   0.01
    17   1    -0.11   0.01   0.05    -0.01  -0.08  -0.09     0.04   0.05  -0.04
    18   1    -0.04   0.27  -0.22     0.04   0.06  -0.18     0.01  -0.02   0.02
    19   1    -0.03   0.26  -0.24    -0.06  -0.26   0.18     0.02  -0.01   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    823.7417               896.1400               921.0452
 Red. masses --      3.1326                 4.6541                 2.3121
 Frc consts  --      1.2524                 2.2021                 1.1556
 IR Inten    --      5.7539                11.0102                14.4445
 RamAct Fr= 1--     10.8728                 4.6443                 3.2802
  Dep-P Fr= 1--      0.0503                 0.1510                 0.5858
  Dep-U Fr= 1--      0.0958                 0.2624                 0.7388
 Alpha2 Fr= 1--      0.2146                 0.0716                 0.0101
 Beta2  Fr= 1--      0.1736                 0.2031                 0.4039
 AlphaG Fr= 1--      0.1327                 0.0435                -0.0081
 Gamma2 Fr= 1--      0.0363                -0.9989                 0.0878
 Delta2 Fr= 1--     -0.0188                -0.4829                -0.4049
 Raman1 Fr= 1--      43.491                 18.577                 13.121
 ROA1   Fr= 1--       2.881               -111.346                 -4.531
 CID1   Fr= 1--       0.066                 -5.994                 -0.345
 Raman2 Fr= 1--       2.083                  2.438                  4.847
 ROA2   Fr= 1--       1.020                -20.110                  5.346
 CID2   Fr= 1--       0.490                 -8.250                  1.103
 Raman3 Fr= 1--       4.166                  4.875                  9.693
 ROA3   Fr= 1--       2.881               -111.346                 -4.531
 CID3   Fr= 1--       0.691                -22.838                 -0.467
 RC180  Fr= 1--      -0.808                 -0.475                  0.478
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.07  -0.01  -0.02    -0.02   0.19   0.09     0.00  -0.04  -0.05
     2   6     0.04   0.01  -0.07    -0.12  -0.21   0.13     0.00   0.03  -0.03
     3   8     0.02  -0.03   0.00    -0.10   0.03  -0.07    -0.01   0.00   0.01
     4   6    -0.19  -0.05  -0.14     0.26  -0.14  -0.20     0.09   0.08   0.20
     5   6    -0.06  -0.04   0.02    -0.01  -0.07  -0.04    -0.07  -0.12   0.00
     6   6    -0.02   0.08   0.27     0.05   0.02   0.16    -0.02  -0.06   0.05
     7   8     0.01  -0.00   0.01    -0.02   0.06   0.01     0.02   0.02  -0.03
     8   1    -0.34  -0.09  -0.13     0.49  -0.24  -0.20     0.26   0.16   0.19
     9   6     0.07  -0.07   0.02    -0.05   0.00  -0.04    -0.05  -0.06  -0.02
    10   6     0.02   0.11  -0.11     0.00  -0.00  -0.03    -0.00   0.05  -0.13
    11   1    -0.06   0.32   0.43     0.06   0.19   0.26    -0.04   0.18   0.20
    12   1    -0.06   0.14   0.04     0.27  -0.03  -0.09    -0.02  -0.02  -0.22
    13   1     0.10  -0.28   0.20    -0.08   0.23  -0.11    -0.05   0.24  -0.16
    14   1     0.18  -0.05   0.09    -0.06   0.09   0.04     0.22  -0.00   0.12
    15   1     0.20  -0.07   0.08     0.11  -0.05   0.07     0.23   0.01   0.07
    16   1    -0.04   0.07   0.01    -0.17   0.13  -0.01    -0.33   0.32  -0.08
    17   1     0.08   0.14  -0.23     0.00   0.01   0.02     0.10   0.20  -0.11
    18   1     0.07   0.08  -0.16    -0.00  -0.03   0.04    -0.01  -0.08   0.18
    19   1     0.04   0.02  -0.06     0.04   0.08  -0.07     0.15   0.23  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    946.4418               967.7559               993.1853
 Red. masses --      1.8478                 1.3905                 1.5088
 Frc consts  --      0.9752                 0.7673                 0.8769
 IR Inten    --      5.9654                 1.8178                 8.6242
 RamAct Fr= 1--      3.5257                 2.1184                 1.1096
  Dep-P Fr= 1--      0.7482                 0.7479                 0.4165
  Dep-U Fr= 1--      0.8559                 0.8558                 0.5881
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0077
 Beta2  Fr= 1--      0.5030                 0.3021                 0.1088
 AlphaG Fr= 1--      0.0018                 0.0002                -0.0062
 Gamma2 Fr= 1--      0.1394                 0.0750                -0.1399
 Delta2 Fr= 1--      0.7513                 0.0733                -0.0768
 Raman1 Fr= 1--      14.103                  8.474                  4.438
 ROA1   Fr= 1--      37.427                  9.550                -15.886
 CID1   Fr= 1--       2.654                  1.127                 -3.579
 Raman2 Fr= 1--       6.036                  3.626                  1.305
 ROA2   Fr= 1--      -2.665                  1.215                 -2.743
 CID2   Fr= 1--      -0.442                  0.335                 -2.102
 Raman3 Fr= 1--      12.071                  7.252                  2.610
 ROA3   Fr= 1--      37.427                  9.550                -15.886
 CID3   Fr= 1--       3.101                  1.317                 -6.086
 RC180  Fr= 1--       0.712                  0.712                  0.176
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.03  -0.02    -0.00  -0.00   0.00     0.04  -0.00   0.03
     2   6     0.01   0.00  -0.03    -0.00   0.01   0.00    -0.00  -0.04  -0.02
     3   8    -0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01
     4   6    -0.01   0.03   0.04    -0.01   0.01  -0.02    -0.01  -0.05   0.00
     5   6     0.07   0.00  -0.12     0.07  -0.05   0.02    -0.08   0.02   0.02
     6   6     0.02   0.12   0.10    -0.00   0.02   0.01     0.01   0.11  -0.03
     7   8     0.00  -0.01  -0.00    -0.00  -0.02   0.01     0.00   0.04  -0.02
     8   1    -0.07   0.02   0.04    -0.07   0.01  -0.02     0.15  -0.04  -0.00
     9   6    -0.00   0.01  -0.10    -0.11   0.01   0.02     0.02  -0.04   0.09
    10   6    -0.01  -0.12   0.04     0.12  -0.02  -0.02    -0.04  -0.03  -0.07
    11   1    -0.04  -0.14  -0.05    -0.03  -0.03  -0.01     0.01  -0.30  -0.28
    12   1    -0.18   0.16   0.45    -0.03   0.02   0.08     0.03   0.03   0.42
    13   1    -0.01   0.02  -0.03     0.00  -0.04   0.02     0.02  -0.03   0.04
    14   1    -0.30   0.24   0.04     0.26  -0.10   0.02     0.33  -0.23  -0.00
    15   1     0.33  -0.24   0.21    -0.13   0.25  -0.14    -0.17   0.18  -0.14
    16   1    -0.17   0.09   0.11    -0.16   0.20  -0.18     0.10  -0.03  -0.10
    17   1    -0.06  -0.09   0.25    -0.25  -0.33   0.40     0.09   0.18   0.02
    18   1    -0.11  -0.11   0.27    -0.10   0.34  -0.24    -0.08  -0.17   0.34
    19   1     0.06   0.19  -0.11    -0.13   0.25  -0.27     0.16   0.26  -0.16
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1033.8928              1038.1729              1087.4922
 Red. masses --      1.7100                 7.3739                 3.7495
 Frc consts  --      1.0770                 4.6826                 2.6126
 IR Inten    --     24.7673                91.4600                80.3640
 RamAct Fr= 1--      2.3979                 0.9717                 1.6491
  Dep-P Fr= 1--      0.6745                 0.7111                 0.4974
  Dep-U Fr= 1--      0.8056                 0.8312                 0.6643
 Alpha2 Fr= 1--      0.0032                 0.0007                 0.0082
 Beta2  Fr= 1--      0.3220                 0.1346                 0.1826
 AlphaG Fr= 1--     -0.0062                 0.0065                 0.0199
 Gamma2 Fr= 1--     -1.0852                 0.1794                 0.5524
 Delta2 Fr= 1--     -0.2917                -0.2148                 0.6826
 Raman1 Fr= 1--       9.591                  3.887                  6.596
 ROA1   Fr= 1--    -113.514                 10.348                 74.870
 CID1   Fr= 1--     -11.835                  2.662                 11.350
 Raman2 Fr= 1--       3.864                  1.615                  2.191
 ROA2   Fr= 1--     -23.711                  6.023                  7.796
 CID2   Fr= 1--      -6.137                  3.729                  3.558
 Raman3 Fr= 1--       7.727                  3.231                  4.382
 ROA3   Fr= 1--    -113.514                 10.348                 74.870
 CID3   Fr= 1--     -14.691                  3.203                 17.085
 RC180  Fr= 1--       0.611                  0.662                  0.329
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.07  -0.00   0.01     0.41  -0.00   0.13    -0.07  -0.03  -0.08
     2   6    -0.02   0.04   0.01    -0.10   0.05   0.07    -0.00   0.01   0.07
     3   8    -0.02  -0.02  -0.01    -0.07  -0.05  -0.08     0.02   0.01   0.00
     4   6    -0.00  -0.07   0.05     0.11   0.16  -0.10     0.04   0.29  -0.20
     5   6     0.05  -0.04  -0.00    -0.03   0.03  -0.05    -0.01   0.01  -0.01
     6   6    -0.09  -0.05   0.04    -0.42   0.07  -0.11     0.08  -0.05   0.06
     7   8     0.00   0.05  -0.04     0.00  -0.13   0.09     0.00  -0.18   0.14
     8   1    -0.11  -0.03   0.04     0.04   0.09  -0.07    -0.09   0.30  -0.18
     9   6     0.02   0.12   0.01     0.02  -0.09  -0.03     0.02   0.03   0.07
    10   6     0.01  -0.06  -0.06    -0.01  -0.00   0.06    -0.06  -0.08  -0.07
    11   1    -0.03   0.20   0.20    -0.15  -0.01  -0.15     0.05   0.10   0.15
    12   1    -0.08  -0.01  -0.22    -0.36   0.04   0.00    -0.01   0.02  -0.15
    13   1     0.03  -0.02   0.03    -0.10   0.18  -0.14    -0.07   0.05  -0.08
    14   1    -0.34   0.03  -0.18     0.14   0.01   0.10     0.04  -0.13  -0.08
    15   1    -0.34  -0.00  -0.08     0.28  -0.08   0.08    -0.27   0.13  -0.12
    16   1     0.34  -0.34   0.10    -0.18   0.17  -0.03     0.20  -0.12  -0.05
    17   1    -0.01   0.03   0.18    -0.02  -0.06  -0.05     0.07   0.16   0.07
    18   1    -0.09  -0.07   0.23     0.02   0.03  -0.11    -0.11  -0.25   0.40
    19   1     0.11   0.31  -0.24    -0.09  -0.16   0.12     0.17   0.24  -0.16
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1165.1679              1193.1153              1211.5288
 Red. masses --      1.8237                 2.0792                 1.4269
 Frc consts  --      1.4587                 1.7438                 1.2340
 IR Inten    --     79.2410                65.0355                 5.0833
 RamAct Fr= 1--      3.6038                 3.2678                 2.4301
  Dep-P Fr= 1--      0.6871                 0.7464                 0.7053
  Dep-U Fr= 1--      0.8146                 0.8548                 0.8272
 Alpha2 Fr= 1--      0.0040                 0.0002                 0.0019
 Beta2  Fr= 1--      0.4893                 0.4655                 0.3350
 AlphaG Fr= 1--     -0.0079                -0.0048                -0.0053
 Gamma2 Fr= 1--     -0.3623                -1.1392                 1.6168
 Delta2 Fr= 1--      0.3129                -1.1126                 1.3001
 Raman1 Fr= 1--      14.415                 13.071                  9.720
 ROA1   Fr= 1--     -24.769               -144.965                196.819
 CID1   Fr= 1--      -1.718                -11.090                 20.248
 Raman2 Fr= 1--       5.871                  5.587                  4.020
 ROA2   Fr= 1--     -11.198                -18.440                 28.403
 CID2   Fr= 1--      -1.907                 -3.301                  7.065
 Raman3 Fr= 1--      11.742                 11.173                  8.040
 ROA3   Fr= 1--     -24.769               -144.965                196.819
 CID3   Fr= 1--      -2.109                -12.974                 24.479
 RC180  Fr= 1--       0.629                  0.710                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.05   0.06    -0.00  -0.05  -0.04    -0.00   0.05  -0.02
     2   6     0.02  -0.13  -0.09    -0.04   0.14   0.16    -0.00   0.02   0.01
     3   8     0.02   0.01   0.02     0.02  -0.02  -0.02     0.02  -0.00   0.00
     4   6    -0.08   0.09   0.00    -0.01  -0.04  -0.07    -0.03  -0.03   0.00
     5   6    -0.02   0.03   0.11     0.05  -0.10   0.10    -0.00   0.12  -0.03
     6   6    -0.04  -0.02  -0.04     0.04   0.01  -0.06    -0.01  -0.10   0.03
     7   8    -0.02  -0.02   0.00    -0.02   0.01  -0.01    -0.01   0.01  -0.02
     8   1     0.46   0.26  -0.03     0.58   0.07  -0.09     0.24  -0.10   0.01
     9   6     0.03   0.00  -0.07    -0.02   0.02  -0.04    -0.00  -0.05   0.01
    10   6     0.03  -0.03  -0.04    -0.02   0.04  -0.03    -0.00  -0.04   0.00
    11   1     0.02  -0.02  -0.05    -0.26   0.00  -0.05     0.61  -0.02   0.04
    12   1     0.29  -0.15  -0.14    -0.35   0.14   0.23    -0.60   0.19  -0.17
    13   1     0.10  -0.40   0.31     0.10  -0.36   0.28     0.03  -0.11   0.08
    14   1    -0.18   0.16   0.02    -0.13   0.10  -0.00     0.15  -0.04   0.07
    15   1     0.17  -0.17   0.11     0.03  -0.06   0.04     0.10   0.04   0.01
    16   1    -0.05  -0.01   0.13    -0.09   0.05   0.05    -0.06   0.07  -0.05
    17   1    -0.03  -0.02   0.15     0.05   0.09  -0.11    -0.01  -0.01   0.10
    18   1    -0.08   0.07   0.04     0.04  -0.04  -0.02    -0.05  -0.02   0.09
    19   1     0.03   0.18  -0.16     0.05   0.00   0.01     0.01   0.05  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1245.9290              1283.4839              1294.1981
 Red. masses --      2.1819                 2.1176                 1.6661
 Frc consts  --      1.9956                 2.0553                 1.6442
 IR Inten    --     32.7523                15.6401                 4.9932
 RamAct Fr= 1--      1.8619                 2.4650                 4.0336
  Dep-P Fr= 1--      0.5896                 0.6601                 0.7439
  Dep-U Fr= 1--      0.7419                 0.7952                 0.8532
 Alpha2 Fr= 1--      0.0056                 0.0040                 0.0004
 Beta2  Fr= 1--      0.2302                 0.3267                 0.5736
 AlphaG Fr= 1--      0.0002                 0.0199                 0.0029
 Gamma2 Fr= 1--      0.3917                -0.3260                -1.0708
 Delta2 Fr= 1--      0.1222                -0.1798                -0.2991
 Raman1 Fr= 1--       7.448                  9.860                 16.134
 ROA1   Fr= 1--      41.516                -37.048               -112.367
 CID1   Fr= 1--       5.574                 -3.757                 -6.964
 Raman2 Fr= 1--       2.763                  3.921                  6.883
 ROA2   Fr= 1--       8.424                 -6.385                -23.306
 CID2   Fr= 1--       3.049                 -1.629                 -3.386
 Raman3 Fr= 1--       5.525                  7.841                 13.765
 ROA3   Fr= 1--      41.516                -37.048               -112.367
 CID3   Fr= 1--       7.514                 -4.725                 -8.163
 RC180  Fr= 1--       0.484                  0.590                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.04   0.04    -0.00  -0.03  -0.01    -0.00   0.03  -0.00
     2   6     0.02  -0.06  -0.07    -0.01   0.06   0.05     0.01  -0.02  -0.03
     3   8    -0.03   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.00   0.00
     4   6     0.04   0.00   0.00    -0.01  -0.07  -0.05     0.03  -0.02  -0.03
     5   6     0.25  -0.03   0.04     0.03   0.19   0.17    -0.06  -0.11   0.17
     6   6    -0.02  -0.02  -0.02     0.01  -0.04  -0.05     0.01   0.01  -0.03
     7   8    -0.03   0.01  -0.01     0.02   0.00  -0.00     0.02  -0.00   0.03
     8   1    -0.45   0.23  -0.04    -0.35  -0.32  -0.01    -0.41   0.18  -0.07
     9   6    -0.09  -0.01   0.00    -0.01  -0.06  -0.06     0.02   0.03  -0.06
    10   6    -0.10   0.02  -0.02    -0.01  -0.06  -0.06     0.02   0.03  -0.03
    11   1     0.06   0.02   0.00    -0.33   0.13   0.07     0.49  -0.24  -0.21
    12   1    -0.12   0.03   0.01     0.23  -0.12  -0.12    -0.32   0.13   0.13
    13   1     0.08  -0.33   0.25    -0.06   0.23  -0.18    -0.07   0.27  -0.20
    14   1     0.08   0.01   0.06     0.07   0.16   0.18    -0.16   0.12  -0.02
    15   1    -0.03   0.19  -0.09     0.26  -0.03   0.06    -0.01  -0.17   0.06
    16   1    -0.19   0.20  -0.14    -0.20   0.11   0.06    -0.04  -0.04   0.18
    17   1     0.12   0.24  -0.19     0.05   0.13   0.18     0.02   0.04  -0.03
    18   1     0.08  -0.27   0.15    -0.13  -0.04   0.21    -0.01   0.08  -0.07
    19   1     0.20  -0.10   0.17     0.13   0.17  -0.13    -0.00   0.06  -0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1332.5114              1384.7115              1406.6120
 Red. masses --      1.6185                 1.3790                 1.3765
 Frc consts  --      1.6932                 1.5579                 1.6046
 IR Inten    --     22.0033                10.5004                11.7436
 RamAct Fr= 1--      2.4512                 0.5334                 1.7172
  Dep-P Fr= 1--      0.6891                 0.7488                 0.6806
  Dep-U Fr= 1--      0.8160                 0.8563                 0.8100
 Alpha2 Fr= 1--      0.0026                 0.0000                 0.0021
 Beta2  Fr= 1--      0.3333                 0.0761                 0.2318
 AlphaG Fr= 1--      0.0006                 0.0007                 0.0028
 Gamma2 Fr= 1--     -1.8251                -0.1812                 0.9059
 Delta2 Fr= 1--     -0.4190                -0.4857                 0.4725
 Raman1 Fr= 1--       9.805                  2.134                  6.869
 ROA1   Fr= 1--    -188.613                -32.942                102.082
 CID1   Fr= 1--     -19.237                -15.439                 14.862
 Raman2 Fr= 1--       4.000                  0.914                  2.782
 ROA2   Fr= 1--     -40.449                 -0.464                 17.961
 CID2   Fr= 1--     -10.112                 -0.508                  6.457
 Raman3 Fr= 1--       8.000                  1.827                  5.564
 ROA3   Fr= 1--    -188.613                -32.942                102.082
 CID3   Fr= 1--     -23.576                -18.029                 18.348
 RC180  Fr= 1--       0.632                  0.713                  0.620
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.03  -0.03     0.02   0.04   0.05     0.01   0.01   0.02
     2   6    -0.01   0.06   0.03     0.02  -0.05  -0.06     0.00  -0.03  -0.01
     3   8    -0.02  -0.01  -0.01    -0.01   0.00   0.00    -0.01   0.00   0.00
     4   6     0.14  -0.09   0.01    -0.06  -0.06  -0.00     0.08   0.07   0.01
     5   6    -0.09   0.07  -0.03    -0.01   0.02  -0.03    -0.07  -0.01   0.01
     6   6     0.00   0.01   0.02     0.07  -0.06  -0.06     0.04  -0.02  -0.03
     7   8    -0.04   0.01   0.01     0.02  -0.00   0.03    -0.02   0.00  -0.03
     8   1    -0.31   0.75  -0.15     0.11   0.51  -0.12    -0.24  -0.37   0.10
     9   6     0.01  -0.02  -0.00     0.00  -0.00   0.01     0.01   0.01  -0.01
    10   6     0.03  -0.02   0.01     0.01   0.00  -0.01     0.05   0.06  -0.07
    11   1     0.04  -0.04  -0.01    -0.46   0.29   0.20    -0.18   0.10   0.06
    12   1     0.16  -0.05  -0.08    -0.41   0.13   0.20    -0.22   0.08   0.12
    13   1     0.08  -0.34   0.26    -0.06   0.26  -0.19     0.06  -0.26   0.19
    14   1     0.07  -0.02   0.02     0.02  -0.00   0.01     0.04  -0.03  -0.03
    15   1     0.08  -0.04   0.04    -0.01   0.03  -0.01    -0.01  -0.09   0.05
    16   1     0.01  -0.03   0.01     0.02  -0.02   0.00     0.02  -0.05   0.07
    17   1    -0.03  -0.06   0.08    -0.03  -0.02   0.07    -0.24  -0.20   0.27
    18   1    -0.05   0.07   0.01    -0.02  -0.00   0.06    -0.04  -0.09   0.40
    19   1    -0.07   0.00  -0.04    -0.01  -0.06   0.02    -0.16  -0.37   0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1409.7829              1438.3100              1488.4390
 Red. masses --      1.3100                 1.2851                 1.0477
 Frc consts  --      1.5340                 1.5664                 1.3676
 IR Inten    --      2.9727                 6.2536                 1.8055
 RamAct Fr= 1--      0.6518                 0.8668                 4.7365
  Dep-P Fr= 1--      0.4769                 0.4424                 0.7377
  Dep-U Fr= 1--      0.6458                 0.6134                 0.8491
 Alpha2 Fr= 1--      0.0036                 0.0055                 0.0010
 Beta2  Fr= 1--      0.0702                 0.0886                 0.6703
 AlphaG Fr= 1--      0.0015                -0.0037                -0.0048
 Gamma2 Fr= 1--      0.4032                 0.4300                 0.6720
 Delta2 Fr= 1--      0.1785                 0.3061                 0.3491
 Raman1 Fr= 1--       2.607                  3.467                 18.946
 ROA1   Fr= 1--      44.418                 51.074                 75.682
 CID1   Fr= 1--      17.037                 14.730                  3.995
 Raman2 Fr= 1--       0.842                  1.063                  8.043
 ROA2   Fr= 1--       8.248                  7.871                 13.334
 CID2   Fr= 1--       9.798                  7.402                  1.658
 Raman3 Fr= 1--       1.684                  2.127                 16.087
 ROA3   Fr= 1--      44.418                 51.074                 75.682
 CID3   Fr= 1--      26.382                 24.014                  4.705
 RC180  Fr= 1--       0.292                  0.227                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.01  -0.01     0.01   0.01   0.02     0.00   0.00   0.00
     2   6    -0.00   0.02   0.01     0.00  -0.03  -0.02     0.00  -0.00  -0.00
     3   8     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.05  -0.03  -0.01     0.05   0.05   0.01    -0.00   0.00   0.00
     5   6     0.05  -0.01   0.00    -0.04  -0.00   0.00     0.00   0.01  -0.01
     6   6    -0.03   0.02   0.02     0.04  -0.02  -0.02     0.01   0.00   0.01
     7   8     0.01  -0.00   0.01    -0.02   0.00  -0.02    -0.00  -0.00  -0.00
     8   1     0.13   0.15  -0.05    -0.17  -0.21   0.07     0.01   0.00  -0.00
     9   6    -0.11   0.06  -0.03    -0.06   0.04  -0.02     0.01  -0.01  -0.04
    10   6    -0.00   0.04  -0.04    -0.01  -0.06   0.07    -0.01   0.03   0.02
    11   1     0.13  -0.08  -0.06    -0.22   0.07   0.05    -0.06  -0.05  -0.02
    12   1     0.14  -0.05  -0.07    -0.22   0.08   0.04    -0.02   0.02  -0.09
    13   1    -0.03   0.14  -0.10     0.04  -0.17   0.12     0.00  -0.01   0.01
    14   1     0.47  -0.11   0.01     0.32  -0.09  -0.02     0.27   0.22   0.28
    15   1     0.34  -0.13   0.28     0.21  -0.13   0.20    -0.29   0.02  -0.17
    16   1     0.26  -0.41   0.05     0.18  -0.28   0.06    -0.16  -0.11   0.49
    17   1    -0.14  -0.09   0.15     0.22   0.15  -0.27    -0.18  -0.32  -0.19
    18   1     0.05  -0.14   0.17    -0.03   0.16  -0.32     0.27  -0.30  -0.01
    19   1     0.04  -0.19   0.12     0.01   0.34  -0.17     0.02   0.21  -0.09
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1491.3312              1507.8031              1513.7035
 Red. masses --      1.0472                 1.0626                 1.0637
 Frc consts  --      1.3722                 1.4233                 1.4359
 IR Inten    --      2.8447                 7.5161                14.2884
 RamAct Fr= 1--      4.0494                 9.2040                 0.8919
  Dep-P Fr= 1--      0.7175                 0.7475                 0.6755
  Dep-U Fr= 1--      0.8355                 0.8555                 0.8063
 Alpha2 Fr= 1--      0.0023                 0.0004                 0.0012
 Beta2  Fr= 1--      0.5639                 1.3124                 0.1199
 AlphaG Fr= 1--      0.0051                -0.0008                 0.0025
 Gamma2 Fr= 1--      0.1443                -0.9924                 0.1942
 Delta2 Fr= 1--     -0.0281                -0.8203                 0.2651
 Raman1 Fr= 1--      16.198                 36.816                  3.568
 ROA1   Fr= 1--      12.958               -121.524                 27.130
 CID1   Fr= 1--       0.800                 -3.301                  7.604
 Raman2 Fr= 1--       6.767                 15.749                  1.438
 ROA2   Fr= 1--       3.689                -17.256                  2.540
 CID2   Fr= 1--       0.545                 -1.096                  1.766
 Raman3 Fr= 1--      13.533                 31.497                  2.877
 ROA3   Fr= 1--      12.958               -121.524                 27.130
 CID3   Fr= 1--       0.957                 -3.858                  9.430
 RC180  Fr= 1--       0.671                  0.711                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00     0.01   0.00  -0.00     0.01   0.02   0.01
     5   6    -0.01   0.01  -0.01    -0.04   0.01   0.03    -0.03  -0.03  -0.03
     6   6     0.01   0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.01
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   1     0.00  -0.00   0.00    -0.06  -0.02   0.01    -0.00  -0.03   0.02
     9   6     0.02   0.03  -0.00    -0.00  -0.01   0.02    -0.01  -0.03  -0.02
    10   6    -0.03  -0.01  -0.02    -0.02   0.03   0.00    -0.02  -0.01  -0.02
    11   1    -0.07  -0.04  -0.02    -0.09  -0.07  -0.04     0.07   0.07   0.04
    12   1    -0.02   0.02  -0.07    -0.07   0.04  -0.08     0.00  -0.02   0.12
    13   1     0.00  -0.01   0.01     0.00  -0.01   0.01     0.01  -0.03   0.03
    14   1     0.17  -0.25  -0.21    -0.27  -0.02  -0.08    -0.00   0.36   0.35
    15   1    -0.28  -0.39   0.11     0.28   0.14   0.05     0.07   0.37  -0.21
    16   1    -0.21   0.18   0.19     0.17   0.01  -0.36     0.13  -0.26   0.13
    17   1    -0.03   0.15   0.37    -0.26  -0.29   0.08     0.05   0.24   0.36
    18   1     0.07   0.02  -0.28     0.37  -0.33  -0.22    -0.06   0.16  -0.23
    19   1     0.45  -0.04   0.19     0.35   0.22   0.02     0.32  -0.14   0.19
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1520.9857              1844.7831              3032.7339
 Red. masses --      1.0873                12.5553                 1.0354
 Frc consts  --      1.4820                25.1749                 5.6107
 IR Inten    --      2.6033               401.2521                12.8896
 RamAct Fr= 1--      5.3730                21.6969                41.4778
  Dep-P Fr= 1--      0.6638                 0.2733                 0.0186
  Dep-U Fr= 1--      0.7980                 0.4293                 0.0365
 Alpha2 Fr= 1--      0.0082                 0.2407                 0.8825
 Beta2  Fr= 1--      0.7146                 1.5523                 0.2524
 AlphaG Fr= 1--     -0.0218                 0.1368                 0.0379
 Gamma2 Fr= 1--     -0.5784                 0.8911                 1.3735
 Delta2 Fr= 1--     -0.0035                 0.8130                 1.1678
 Raman1 Fr= 1--      21.492                 86.788                165.911
 ROA1   Fr= 1--     -55.642                111.564                169.230
 CID1   Fr= 1--      -2.589                  1.285                  1.020
 Raman2 Fr= 1--       8.575                 18.628                  3.028
 ROA2   Fr= 1--     -13.854                 14.883                 23.622
 CID2   Fr= 1--      -1.616                  0.799                  7.801
 Raman3 Fr= 1--      17.150                 37.256                  6.056
 ROA3   Fr= 1--     -55.642                111.564                169.230
 CID3   Fr= 1--      -3.244                  2.995                 27.942
 RC180  Fr= 1--       0.596                 -0.141                 -0.927
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.01  -0.01    -0.03   0.02   0.01    -0.00  -0.00   0.00
     2   6    -0.01   0.01   0.01     0.79   0.02   0.23     0.00   0.00   0.00
     3   8     0.01  -0.00   0.00    -0.50  -0.03  -0.15    -0.00  -0.00  -0.00
     4   6     0.01   0.00  -0.00    -0.06   0.02  -0.01    -0.00   0.00   0.01
     5   6    -0.01   0.01   0.00    -0.02  -0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.04  -0.03  -0.06    -0.04  -0.01  -0.02    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.01  -0.02   0.00     0.15  -0.09   0.04    -0.00  -0.02  -0.09
     9   6     0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.02   0.00  -0.00
    10   6    -0.01   0.00   0.01     0.00  -0.00  -0.00     0.01   0.03  -0.03
    11   1     0.38   0.50   0.26     0.09   0.03  -0.02     0.00  -0.01   0.01
    12   1     0.19  -0.21   0.60    -0.00  -0.06  -0.00     0.01   0.01   0.00
    13   1     0.00  -0.01   0.01     0.01  -0.06   0.01     0.00  -0.00  -0.00
    14   1     0.04  -0.07  -0.06    -0.00   0.01   0.00    -0.04  -0.09   0.09
    15   1    -0.02  -0.09   0.05     0.01  -0.00   0.01     0.07  -0.10  -0.16
    16   1    -0.02   0.03   0.01    -0.00  -0.00   0.01     0.18   0.15   0.09
    17   1    -0.06  -0.11  -0.04    -0.01   0.00   0.03     0.46  -0.32   0.14
    18   1     0.11  -0.11  -0.06    -0.00   0.01  -0.01    -0.38  -0.31  -0.17
    19   1     0.06   0.11  -0.03     0.02   0.01   0.00    -0.16   0.26   0.42
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3037.9689              3048.9822              3061.5810
 Red. masses --      1.0393                 1.0840                 1.0601
 Frc consts  --      5.6513                 5.9372                 5.8545
 IR Inten    --     21.1158                33.0752                27.6090
 RamAct Fr= 1--    199.2384                98.0125               175.8629
  Dep-P Fr= 1--      0.0209                 0.1111                 0.0494
  Dep-U Fr= 1--      0.0409                 0.2001                 0.0941
 Alpha2 Fr= 1--      4.2161                 1.6697                 3.4791
 Beta2  Fr= 1--      1.3593                 3.2681                 2.7574
 AlphaG Fr= 1--      0.4134                 0.0642                -0.6079
 Gamma2 Fr= 1--     -4.1105                 1.0064                -3.7991
 Delta2 Fr= 1--     -2.7413                 0.3233                 3.5028
 Raman1 Fr= 1--     796.954                392.050                703.452
 ROA1   Fr= 1--    -482.333                106.962               -252.624
 CID1   Fr= 1--      -0.605                  0.273                 -0.359
 Raman2 Fr= 1--      16.311                 39.217                 33.089
 ROA2   Fr= 1--     -76.723                 21.568               -119.201
 CID2   Fr= 1--      -4.704                  0.550                 -3.602
 Raman3 Fr= 1--      32.622                 78.434                 66.179
 ROA3   Fr= 1--    -482.333                106.962               -252.624
 CID3   Fr= 1--     -14.785                  1.364                 -3.817
 RC180  Fr= 1--      -0.918                 -0.600                 -0.812
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.01    -0.00  -0.02  -0.08     0.00   0.00   0.01
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.01    -0.00  -0.00  -0.01    -0.02   0.00  -0.07
     7   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   1    -0.00   0.03   0.14     0.01   0.19   0.96    -0.00  -0.02  -0.08
     9   6    -0.05   0.01  -0.01     0.00  -0.00   0.00    -0.01   0.00   0.00
    10   6    -0.00  -0.01   0.01     0.00   0.01  -0.00     0.00  -0.00   0.00
    11   1    -0.00   0.04  -0.06     0.00  -0.04   0.06     0.04  -0.47   0.72
    12   1    -0.02  -0.04  -0.00     0.03   0.06   0.01     0.20   0.45   0.05
    13   1    -0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    14   1    -0.09  -0.24   0.25     0.01   0.03  -0.03    -0.00  -0.01   0.01
    15   1     0.18  -0.25  -0.42    -0.02   0.02   0.04     0.03  -0.03  -0.05
    16   1     0.48   0.41   0.24    -0.05  -0.04  -0.02     0.04   0.03   0.02
    17   1    -0.17   0.12  -0.05     0.07  -0.05   0.02    -0.04   0.03  -0.01
    18   1     0.12   0.10   0.05    -0.08  -0.07  -0.03     0.01   0.01   0.00
    19   1     0.06  -0.09  -0.14    -0.01   0.02   0.03     0.01  -0.01  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3092.8927              3096.7778              3102.7623
 Red. masses --      1.1008                 1.1017                 1.1023
 Frc consts  --      6.2040                 6.2251                 6.2523
 IR Inten    --     11.0639                22.5410                28.9349
 RamAct Fr= 1--     39.3905                51.6909                77.3352
  Dep-P Fr= 1--      0.7178                 0.6872                 0.7397
  Dep-U Fr= 1--      0.8358                 0.8146                 0.8504
 Alpha2 Fr= 1--      0.0218                 0.0570                 0.0136
 Beta2  Fr= 1--      5.4868                 7.0182                10.9608
 AlphaG Fr= 1--      0.0240                -0.0201                -0.0151
 Gamma2 Fr= 1--      7.0518                -0.4491                 2.3748
 Delta2 Fr= 1--      5.5253                -2.9367                 1.3678
 Raman1 Fr= 1--     157.562                206.763                309.341
 ROA1   Fr= 1--     853.784               -137.087                271.749
 CID1   Fr= 1--       5.419                 -0.663                  0.878
 Raman2 Fr= 1--      65.841                 84.219                131.529
 ROA2   Fr= 1--     125.041                 12.716                 46.053
 CID2   Fr= 1--       1.899                  0.151                  0.350
 Raman3 Fr= 1--     131.683                168.437                263.058
 ROA3   Fr= 1--     853.784               -137.087                271.749
 CID3   Fr= 1--       6.484                 -0.814                  1.033
 RC180  Fr= 1--       0.672                  0.629                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.01  -0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   1     0.00  -0.00  -0.02    -0.00   0.00   0.00     0.00   0.01   0.05
     9   6    -0.02  -0.06  -0.06     0.00   0.00   0.00    -0.00  -0.02  -0.01
    10   6    -0.00   0.02   0.02    -0.09   0.03  -0.00    -0.02  -0.06  -0.06
    11   1    -0.00  -0.00   0.00     0.00  -0.01   0.02     0.00  -0.04   0.07
    12   1     0.01   0.03   0.00     0.00   0.00   0.00    -0.04  -0.10  -0.01
    13   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.02   0.06  -0.09    -0.00  -0.01   0.01     0.01   0.02  -0.03
    15   1    -0.27   0.34   0.58     0.02  -0.03  -0.05    -0.07   0.09   0.15
    16   1     0.45   0.37   0.21    -0.02  -0.02  -0.01     0.12   0.10   0.06
    17   1     0.05  -0.03   0.02     0.61  -0.44   0.20    -0.02   0.00  -0.02
    18   1    -0.11  -0.09  -0.04     0.34   0.30   0.15     0.49   0.39   0.19
    19   1     0.07  -0.10  -0.17     0.11  -0.20  -0.33    -0.22   0.34   0.56
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3117.7164              3129.9267              3780.5682
 Red. masses --      1.1076                 1.0995                 1.0663
 Frc consts  --      6.3432                 6.3464                 8.9794
 IR Inten    --     18.3509                15.3012                47.1106
 RamAct Fr= 1--     73.5760                58.8113                79.9249
  Dep-P Fr= 1--      0.5684                 0.6798                 0.2036
  Dep-U Fr= 1--      0.7249                 0.8094                 0.3384
 Alpha2 Fr= 1--      0.2523                 0.0728                 1.0750
 Beta2  Fr= 1--      8.8886                 7.9335                 4.5072
 AlphaG Fr= 1--      0.1044                -0.0759                 0.2124
 Gamma2 Fr= 1--      4.2894               -11.4202                 2.5080
 Delta2 Fr= 1--      3.3112                -7.0287                -0.4892
 Raman1 Fr= 1--     294.304                235.245                319.699
 ROA1   Fr= 1--     517.738              -1321.253                225.113
 CID1   Fr= 1--       1.759                 -5.616                  0.704
 Raman2 Fr= 1--     106.664                 95.202                 54.086
 ROA2   Fr= 1--      76.456               -217.854                 64.106
 CID2   Fr= 1--       0.717                 -2.288                  1.185
 Raman3 Fr= 1--     213.327                190.404                108.172
 ROA3   Fr= 1--     517.738              -1321.253                225.113
 CID3   Fr= 1--       2.427                 -6.939                  2.081
 RC180  Fr= 1--       0.450                  0.619                 -0.323
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.03  -0.09   0.02     0.00   0.01  -0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.06  -0.03  -0.01
     8   1     0.00  -0.00  -0.01     0.00   0.00   0.01     0.00   0.00  -0.00
     9   6     0.00   0.01  -0.01     0.04   0.05  -0.07     0.00   0.00  -0.00
    10   6    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.02   0.24  -0.40     0.00  -0.04   0.07    -0.00   0.00  -0.00
    12   1     0.34   0.78   0.12    -0.04  -0.09  -0.01     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.89   0.43   0.17
    14   1    -0.03  -0.08   0.08    -0.21  -0.62   0.64     0.00  -0.00   0.00
    15   1    -0.02   0.02   0.03    -0.11   0.17   0.25    -0.00   0.00   0.00
    16   1    -0.01  -0.01  -0.01    -0.15  -0.12  -0.09     0.00   0.00   0.00
    17   1    -0.01   0.00  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.08   0.06   0.03    -0.01  -0.01  -0.00     0.00   0.00   0.00
    19   1    -0.03   0.04   0.07    -0.00  -0.00   0.00    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   130.06299 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   727.011211206.344911436.23905
           X            0.99953   0.02996  -0.00641
           Y           -0.03014   0.99909  -0.03012
           Z            0.00550   0.03030   0.99953
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11914     0.07180     0.06031
 Rotational constants (GHZ):           2.48241     1.49604     1.25657
 Zero-point vibrational energy     416296.8 (Joules/Mol)
                                   99.49733 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.85   264.02   301.63   314.28   360.06
          (Kelvin)            400.90   446.07   503.52   528.44   542.57
                              675.93   782.25   833.99   990.19  1080.79
                             1185.18  1289.35  1325.18  1361.72  1392.38
                             1428.97  1487.54  1493.70  1564.66  1676.42
                             1716.63  1743.12  1792.61  1846.65  1862.06
                             1917.19  1992.29  2023.80  2028.36  2069.41
                             2141.53  2145.69  2169.39  2177.88  2188.36
                             2654.23  4363.43  4370.96  4386.81  4404.93
                             4449.98  4455.57  4464.18  4485.70  4503.27
                             5439.39
 
 Zero-point correction=                           0.158559 (Hartree/Particle)
 Thermal correction to Energy=                    0.167578
 Thermal correction to Enthalpy=                  0.168522
 Thermal correction to Gibbs Free Energy=         0.125282
 Sum of electronic and zero-point Energies=           -460.395085
 Sum of electronic and thermal Energies=              -460.386067
 Sum of electronic and thermal Enthalpies=            -460.385123
 Sum of electronic and thermal Free Energies=         -460.428362
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  105.156             34.174             91.005
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.502
 Rotational               0.889              2.981             28.623
 Vibrational            103.379             28.212             21.880
 Vibration     1          0.600              1.963              3.895
 Vibration     2          0.631              1.862              2.292
 Vibration     3          0.642              1.826              2.047
 Vibration     4          0.646              1.813              1.972
 Vibration     5          0.663              1.762              1.729
 Vibration     6          0.679              1.713              1.542
 Vibration     7          0.699              1.655              1.362
 Vibration     8          0.727              1.575              1.166
 Vibration     9          0.740              1.540              1.091
 Vibration    10          0.748              1.519              1.051
 Vibration    11          0.827              1.317              0.738
 Vibration    12          0.899              1.154              0.557
 Vibration    13          0.936              1.075              0.486
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.236654D-57        -57.625885       -132.688505
 Total V=0       0.202381D+16         15.306170         35.243758
 Vib (Bot)       0.101033D-70        -70.995535       -163.473261
 Vib (Bot)    1  0.258005D+01          0.411627          0.947807
 Vib (Bot)    2  0.109320D+01          0.038701          0.089113
 Vib (Bot)    3  0.947532D+00         -0.023406         -0.053895
 Vib (Bot)    4  0.906135D+00         -0.042807         -0.098567
 Vib (Bot)    5  0.779809D+00         -0.108012         -0.248706
 Vib (Bot)    6  0.690488D+00         -0.160844         -0.370357
 Vib (Bot)    7  0.609891D+00         -0.214747         -0.494474
 Vib (Bot)    8  0.527213D+00         -0.278014         -0.640150
 Vib (Bot)    9  0.496605D+00         -0.303989         -0.699960
 Vib (Bot)   10  0.480422D+00         -0.318377         -0.733090
 Vib (Bot)   11  0.359103D+00         -0.444781         -1.024146
 Vib (Bot)   12  0.290389D+00         -0.537020         -1.236535
 Vib (Bot)   13  0.262977D+00         -0.580083         -1.335690
 Vib (V=0)       0.864012D+02          1.936520          4.459002
 Vib (V=0)    1  0.312805D+01          0.495273          1.140409
 Vib (V=0)    2  0.170212D+01          0.230991          0.531875
 Vib (V=0)    3  0.157136D+01          0.196276          0.451943
 Vib (V=0)    4  0.153493D+01          0.186089          0.428485
 Vib (V=0)    5  0.142634D+01          0.154222          0.355110
 Vib (V=0)    6  0.135251D+01          0.131141          0.301962
 Vib (V=0)    7  0.128865D+01          0.110135          0.253595
 Vib (V=0)    8  0.122660D+01          0.088704          0.204250
 Vib (V=0)    9  0.120471D+01          0.080883          0.186239
 Vib (V=0)   10  0.119340D+01          0.076787          0.176807
 Vib (V=0)   11  0.111559D+01          0.047506          0.109386
 Vib (V=0)   12  0.107821D+01          0.032703          0.075301
 Vib (V=0)   13  0.106494D+01          0.027325          0.062918
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.583021D+08          7.765685         17.881149
 Rotational      0.401759D+06          5.603965         12.903607
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                 333333333                                       1      1111111111111111 111                                   
     7                 111000000                                       8      5554444433222211 00099998  8 7 6   55  4333322221      
     8                 310996433                                       4      2109831083984196 83396429  2 5 8   84  7765175118   8  
     1                 083732983                                       5      1481880753436235 78438616  4 1 8   04  0770090804   0  
 
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000006397   -0.000008211   -0.000009308
      2        6           0.000012749    0.000009556    0.000007637
      3        8           0.000000733   -0.000001253    0.000001695
      4        6           0.000002007    0.000002439   -0.000002158
      5        6          -0.000007822   -0.000021516    0.000012119
      6        6          -0.000015533    0.000007155    0.000001297
      7        8          -0.000009814   -0.000002999   -0.000007863
      8        1          -0.000003633   -0.000000214   -0.000001295
      9        6          -0.000000410   -0.000005760    0.000000999
     10        6           0.000004665   -0.000002906    0.000007077
     11        1           0.000003889    0.000000172   -0.000002462
     12        1          -0.000000168   -0.000000853    0.000003972
     13        1           0.000000738   -0.000000030   -0.000000129
     14        1           0.000002706    0.000010061    0.000001354
     15        1          -0.000003097    0.000000945    0.000001028
     16        1           0.000000820   -0.000000660   -0.000000890
     17        1           0.000005043    0.000008163   -0.000010454
     18        1           0.000000758    0.000001185   -0.000001486
     19        1          -0.000000030    0.000004725   -0.000001134
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000021516 RMS     0.000006184
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.909920D+02  0.216829D+01  0.404970D+01
      2   0.216829D+01  0.772421D+02  0.114243D+01
      3   0.404970D+01  0.114243D+01  0.748363D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.336783D+01  0.940702D+01  0.413832D+01
      2   0.346411D+01  0.646287D+01 -0.266885D+02
      3  -0.102100D+02  0.288493D+02 -0.781351D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.330119D+02  0.432983D+01  0.146318D+02
      2   0.190348D+02 -0.515940D+00 -0.247045D+02
      3   0.139771D+02 -0.381389D+01  0.100727D+02
      4  -0.863653D+01 -0.598299D+02  0.629836D+01
      5   0.273665D+02  0.802291D+01 -0.644447D+02
      6  -0.364603D+01  0.160563D+00 -0.133600D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.340059D+01 -0.188364D+01 -0.108885D+01 -0.155209D+01  0.545045D+00
      2  -0.188364D+01  0.201112D+00  0.475695D+00  0.545045D+00 -0.363471D+01
      3  -0.108885D+01  0.475695D+00 -0.540429D+00  0.104183D+00 -0.113825D+01
                 6             7             8             9            10 
      1   0.104183D+00 -0.840748D+00 -0.201947D+00  0.220654D+00 -0.685075D+01
      2  -0.113825D+01 -0.201947D+00 -0.165271D+01 -0.135122D+01 -0.189860D+01
      3  -0.717413D+00  0.220654D+00 -0.135122D+01 -0.277519D+01 -0.340028D+01
                11            12            13            14            15 
      1  -0.189860D+01 -0.340028D+01 -0.102987D+01  0.685497D+00  0.829362D+00
      2  -0.969516D+00  0.521736D+00  0.685497D+00 -0.218287D+00  0.134665D+00
      3   0.521736D+00 -0.658165D+00  0.829362D+00  0.134665D+00  0.478478D+00
                16            17            18            19            20 
      1  -0.183695D+01  0.584516D+00  0.163230D+00  0.169476D+02  0.873521D+00
      2   0.584516D+00  0.409113D+00  0.616424D+00  0.873521D+00  0.304598D+01
      3   0.163230D+00  0.616424D+00  0.117888D+01  0.395898D+01  0.223465D+00
                21            22            23            24            25 
      1   0.395898D+01 -0.106144D-01  0.321108D+01 -0.282427D+00  0.269370D+01
      2   0.223465D+00  0.321108D+01  0.912075D+00  0.978983D+00  0.351658D-01
      3   0.306830D+01 -0.282427D+00  0.978983D+00  0.480739D-01  0.400343D+01
                26            27            28            29            30 
      1   0.351658D-01  0.400343D+01  0.114714D+01  0.345563D+01  0.138797D+01
      2   0.754134D+00  0.901993D-01  0.345563D+01 -0.338875D+00 -0.136832D+00
      3   0.901993D-01  0.286209D+01  0.138797D+01 -0.136832D+00  0.192835D+00
                31            32            33            34            35 
      1   0.252590D+01 -0.458853D+00  0.124277D+00  0.114160D+01 -0.148104D+00
      2  -0.458853D+00 -0.179571D+01  0.138791D+01 -0.148104D+00  0.224963D+01
      3   0.124277D+00  0.138791D+01 -0.698160D+00  0.676064D-01 -0.191550D+01
                36            37            38            39            40 
      1   0.676064D-01 -0.157401D+01 -0.324968D+01  0.938550D+00 -0.306412D+01
      2  -0.191550D+01 -0.324968D+01 -0.584946D+00 -0.249869D+01 -0.290002D+00
      3  -0.592918D+01  0.938550D+00 -0.249869D+01 -0.119430D+01 -0.253382D+01
                41            42            43            44            45 
      1  -0.290002D+00 -0.253382D+01  0.981113D+00 -0.279962D+01 -0.106972D+01
      2   0.236842D+00 -0.956269D+00 -0.279962D+01 -0.166557D+01  0.370530D+01
      3  -0.956269D+00  0.441131D+01 -0.106972D+01  0.370530D+01  0.703187D+00
                46            47            48            49            50 
      1  -0.120331D+01  0.116174D+01 -0.927698D+00  0.621038D+00  0.235144D+01
      2   0.116174D+01  0.259075D+01  0.880914D+00  0.235144D+01  0.278470D+01
      3  -0.927698D+00  0.880914D+00  0.269946D+01  0.104398D+01  0.165039D+01
                51            52            53            54            55 
      1   0.104398D+01 -0.925759D+00  0.118854D+01  0.178427D+01 -0.391381D+01
      2   0.165039D+01  0.118854D+01  0.906817D+00 -0.299320D+01 -0.172866D+01
      3  -0.415945D+01  0.178427D+01 -0.299320D+01  0.239418D+01 -0.108547D+01
                56            57            58            59            60 
      1  -0.172866D+01 -0.108547D+01 -0.674329D+00 -0.856705D+00 -0.169187D+00
      2  -0.282582D+01 -0.911435D-01 -0.856705D+00  0.460128D+01 -0.150876D+01
      3  -0.911435D-01 -0.715278D+00 -0.169187D+00 -0.150876D+01 -0.787137D-01
                61            62            63            64            65 
      1  -0.175778D+01 -0.473353D+00 -0.356870D-01 -0.169627D+00 -0.922183D-01
      2  -0.473353D+00 -0.303909D+01  0.188591D+01 -0.922183D-01 -0.240838D-01
      3  -0.356870D-01  0.188591D+01 -0.871624D+00  0.119401D+01  0.739302D-01
                66            67            68            69            70 
      1   0.119401D+01 -0.933182D-02  0.119644D+00  0.819835D-01  0.133756D+01
      2   0.739302D-01  0.119644D+00  0.129268D+01  0.123666D+01  0.329454D+00
      3   0.695769D-01  0.819835D-01  0.123666D+01  0.981525D+00  0.183664D+00
                71            72            73            74            75 
      1   0.329454D+00  0.183664D+00  0.150987D+01  0.330059D+01 -0.146486D+00
      2   0.174705D+01  0.133278D+01  0.330059D+01  0.207611D+00  0.329660D+01
      3   0.133278D+01  0.811939D+01 -0.146486D+00  0.329660D+01  0.116980D+01
                76            77            78            79            80 
      1   0.381465D+01  0.845105D+00  0.329905D+01 -0.121787D+00  0.320457D+01
      2   0.845105D+00 -0.131980D+01  0.129918D+01  0.320457D+01  0.109425D+01
      3   0.329905D+01  0.129918D+01 -0.353265D+01  0.185088D+01 -0.376129D+01
                81            82            83            84            85 
      1   0.185088D+01  0.341608D+00  0.425887D+01 -0.853562D+00  0.410696D+01
      2  -0.376129D+01  0.425887D+01  0.100455D+00  0.291754D+01  0.309289D+00
      3  -0.271384D+00 -0.853562D+00  0.291754D+01  0.569504D+00  0.306124D+01
                86            87            88            89            90 
      1   0.309289D+00  0.306124D+01 -0.491808D+00  0.330175D+01  0.920836D+00
      2   0.132934D+01  0.398247D+00  0.330175D+01  0.127573D+01 -0.318299D+01
      3   0.398247D+00 -0.397457D+01  0.920836D+00 -0.318299D+01 -0.215902D+01
                91            92            93            94            95 
      1  -0.147818D+00  0.470049D+00 -0.125344D+01  0.117016D+01 -0.724301D+00
      2   0.470049D+00 -0.323335D+00  0.368083D-01 -0.724301D+00  0.100208D+01
      3  -0.125344D+01  0.368083D-01 -0.718626D+00  0.127895D+00 -0.182652D+01
                96            97            98            99           100 
      1   0.127895D+00 -0.159046D+01  0.426838D-01 -0.917565D+00 -0.188494D+01
      2  -0.182652D+01  0.426838D-01 -0.129858D+01  0.152443D+01 -0.201055D+01
      3   0.336590D+01 -0.917565D+00  0.152443D+01 -0.806469D+01 -0.607376D+00
               101           102           103           104           105 
      1  -0.201055D+01 -0.607376D+00 -0.211096D+01 -0.210921D+01 -0.751852D+00
      2  -0.225890D+01 -0.913611D+00 -0.210921D+01 -0.697575D+01 -0.234160D+01
      3  -0.913611D+00 -0.114637D+01 -0.751852D+00 -0.234160D+01 -0.160695D+01
               106           107           108           109           110 
      1  -0.161028D+00 -0.474868D+00 -0.978924D+00  0.449235D+01  0.314730D+01
      2  -0.474868D+00 -0.111991D+01 -0.113735D+01  0.314730D+01  0.402912D+01
      3  -0.978924D+00 -0.113735D+01 -0.160976D+01  0.372176D-01 -0.151319D+00
               111           112           113           114           115 
      1   0.372176D-01  0.229245D+01  0.200447D+01 -0.204170D-01  0.525500D+00
      2  -0.151319D+00  0.200447D+01  0.334311D+01  0.261973D-02  0.405503D+00
      3   0.870994D+00 -0.204170D-01  0.261973D-02  0.574416D+00  0.550756D+00
               116           117           118           119           120 
      1   0.405503D+00  0.550756D+00  0.576613D+00  0.264498D+00 -0.603344D+00
      2   0.630699D+00  0.616474D+00  0.264498D+00  0.479989D+00 -0.532874D+00
      3   0.616474D+00 -0.587535D-01 -0.603344D+00 -0.532874D+00  0.436816D+00
               121           122           123           124           125 
      1   0.818458D+00 -0.500165D+00 -0.339216D-01 -0.129673D+01  0.984016D-01
      2  -0.500165D+00  0.420894D+01 -0.246958D+01  0.984016D-01 -0.277722D+01
      3  -0.339216D-01 -0.246958D+01  0.267544D+01 -0.525872D+00  0.283847D+01
               126           127           128           129           130 
      1  -0.525872D+00 -0.299125D+01  0.116338D+01  0.147681D+01  0.132919D+01
      2   0.283847D+01  0.116338D+01 -0.120381D+01 -0.101977D+01 -0.176132D+01
      3  -0.382470D+01  0.147681D+01 -0.101977D+01 -0.133695D+01 -0.123118D+01
               131           132           133           134           135 
      1  -0.176132D+01 -0.123118D+01  0.293856D+01 -0.184128D+01 -0.210755D+01
      2   0.291076D+01  0.138203D+01 -0.184128D+01  0.219365D+01  0.209515D+01
      3   0.138203D+01  0.181709D+01 -0.210755D+01  0.209515D+01  0.376985D+01
               136           137           138           139           140 
      1  -0.689034D+01 -0.184990D+01 -0.184171D+01 -0.386088D+01 -0.181845D+01
      2  -0.184990D+01 -0.146588D+01 -0.796154D+00 -0.181845D+01 -0.199380D+01
      3  -0.184171D+01 -0.796154D+00 -0.158883D+01 -0.130813D+01 -0.849420D+00
               141           142           143           144           145 
      1  -0.130813D+01 -0.217791D+01 -0.819366D+00 -0.192737D+01  0.360817D+01
      2  -0.849420D+00 -0.819366D+00 -0.780056D+00 -0.241870D+00 -0.218852D+01
      3  -0.821608D+00 -0.192737D+01 -0.241870D+00 -0.148878D+01  0.101414D+01
               146           147           148           149           150 
      1  -0.218852D+01  0.101414D+01 -0.207413D+01  0.164998D+01 -0.949211D+00
      2   0.264146D+01 -0.158012D+01  0.164998D+01 -0.379494D+01  0.147725D+01
      3  -0.158012D+01  0.182094D+01 -0.949211D+00  0.147725D+01 -0.977180D+00
               151           152           153           154           155 
      1   0.817964D+00 -0.897325D+00  0.933720D+00 -0.481956D+01 -0.319538D+01
      2  -0.897325D+00  0.100769D+01 -0.924477D+00 -0.319538D+01 -0.282101D+01
      3   0.933720D+00 -0.924477D+00  0.172244D+01  0.655322D-01 -0.175115D+00
               156           157           158           159           160 
      1   0.655322D-01 -0.300792D+01 -0.268475D+01 -0.269009D+00 -0.109150D+01
      2  -0.175115D+00 -0.268475D+01 -0.423578D+01 -0.272727D-02 -0.944772D+00
      3  -0.120936D+01 -0.269009D+00 -0.272727D-02 -0.531479D+00 -0.851565D+00
               161           162           163           164           165 
      1  -0.944772D+00 -0.851565D+00 -0.157854D+01  0.155435D-02  0.173500D+01
      2  -0.118263D+01 -0.356988D+00  0.155435D-02 -0.480313D+00 -0.531055D+00
      3  -0.356988D+00 -0.457381D+00  0.173500D+01 -0.531055D+00 -0.178992D+01
               166           167           168           169           170 
      1   0.715436D+00 -0.517796D+00 -0.112282D+01  0.185645D+01 -0.589936D+00
      2  -0.517796D+00  0.134695D+01  0.114519D+01 -0.589936D+00  0.124701D+01
      3  -0.112282D+01  0.114519D+01  0.274593D+01 -0.226481D+01  0.115975D+01
               171 
      1  -0.226481D+01
      2   0.115975D+01
      3   0.676044D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.567503D+00 -0.269086D+00  0.768071D+00 -0.449995D+01  0.322345D+01
      2   0.579221D+01 -0.171442D+01  0.595251D+01 -0.492605D+01  0.147648D+00
      3  -0.536496D+01 -0.397799D+01  0.130080D+01  0.772866D+01  0.286880D+01
                 6             7             8             9            10 
      1  -0.359248D+01  0.226654D+01  0.243354D+00 -0.367996D+01 -0.208318D+01
      2  -0.817803D+00 -0.577100D+01 -0.332903D+01 -0.237496D+01  0.407488D+00
      3   0.235287D+01  0.381912D+01 -0.136459D+01  0.158681D+01  0.529429D+01
                11            12            13            14            15 
      1  -0.338176D+01 -0.903691D+00  0.177825D+01 -0.991617D+01 -0.259505D+01
      2   0.320716D+01 -0.882966D+01  0.769468D+01 -0.181300D+01 -0.829332D+00
      3   0.918961D+01 -0.254519D+01  0.713825D+01 -0.385424D+01  0.295443D+00
                16            17            18            19            20 
      1  -0.267774D+01  0.631787D+01  0.717415D+01  0.112391D+01  0.485202D+01
      2  -0.702334D+01  0.152011D+01 -0.396600D+01  0.213178D+01  0.163180D+01
      3  -0.685770D+01  0.493096D+01  0.916354D+00 -0.643278D+01 -0.173851D+02
                21            22            23            24            25 
      1  -0.324125D-01 -0.375116D+00  0.314238D+01 -0.196859D+01  0.263033D+01
      2   0.163588D+02 -0.287680D+00  0.273785D+01  0.299654D+00  0.369410D+01
      3  -0.181450D+01 -0.354704D+01 -0.150759D+01 -0.146491D+01  0.763281D+00
                26            27            28            29            30 
      1   0.219096D+01 -0.910240D+00  0.250042D+01 -0.148849D+01  0.200159D+01
      2   0.107903D+00  0.701479D+01  0.211116D+01 -0.423255D+01  0.952413D+00
      3  -0.406034D+01 -0.274669D+01 -0.133124D+01 -0.164791D+01  0.152589D+01
                31            32            33            34            35 
      1  -0.238227D+01  0.297753D+00  0.148628D+01  0.949538D+00  0.468620D+01
      2  -0.465814D+01  0.164366D+01 -0.169681D+01 -0.519544D+01 -0.314654D+00
      3   0.442333D+01  0.647563D+01 -0.467218D+00  0.306692D+01 -0.981336D+00
                36            37            38            39            40 
      1   0.916145D+00 -0.508953D+00  0.314712D-02 -0.753449D+00  0.614247D+00
      2  -0.258560D+01 -0.973218D+00  0.515554D+01  0.696121D+01  0.500077D+01
      3   0.120333D+00 -0.471887D+01 -0.490392D+01 -0.399456D+01  0.441571D+01
                41            42            43            44            45 
      1   0.797045D+00 -0.319618D+01 -0.369156D-01  0.514211D+01 -0.114767D+01
      2   0.941975D+00 -0.389793D+01 -0.291473D+01 -0.341777D+01 -0.201456D+01
      3  -0.825233D+00 -0.338396D+00 -0.335079D+01 -0.235328D+00  0.526072D+01
                46            47            48            49            50 
      1  -0.136648D+01 -0.331220D+01  0.475336D+00 -0.337262D+01 -0.550690D+01
      2  -0.419604D+01  0.103624D+01 -0.217216D+01  0.489692D+00  0.251801D+01
      3   0.633458D+01  0.135300D+01  0.208601D+01  0.460512D+01 -0.135642D+00
                51            52            53            54            55 
      1  -0.111486D+02 -0.834059D+00 -0.275499D+01  0.908022D+01  0.260720D+01
      2   0.491549D+01 -0.543758D+01  0.283321D+01  0.204636D+01 -0.199963D+01
      3   0.141848D+01  0.122996D+00 -0.459719D+00 -0.542791D+01 -0.112409D+02
                56            57            58            59            60 
      1   0.900884D+00  0.858965D+00  0.196045D+01  0.500271D+01 -0.659073D+01
      2  -0.194644D+01  0.176463D+01 -0.300951D+00 -0.209091D+01  0.665848D+00
      3  -0.651262D+01 -0.127344D+01  0.212532D+01 -0.546375D+01  0.375759D+00
                61            62            63            64            65 
      1   0.796599D+00  0.640992D+00  0.429874D+01 -0.755243D+00  0.205302D-01
      2  -0.313722D+01  0.906689D-02 -0.106438D+01  0.755354D+00  0.737081D+00
      3  -0.410239D+01  0.148805D+01 -0.129674D+01 -0.650996D-01 -0.100735D+01
                66            67            68            69            70 
      1   0.222600D+00  0.575759D-02  0.136533D+00 -0.188402D+00  0.796975D+00
      2   0.107737D+00 -0.110916D+00  0.328942D+00  0.823592D-01 -0.400573D+01
      3   0.367211D+00  0.887746D+00 -0.272126D+00 -0.365524D+00  0.164262D+01
                71            72            73            74            75 
      1   0.304865D+01 -0.522952D+01 -0.789780D+00 -0.293647D+01 -0.268300D+01
      2  -0.403204D+00  0.277421D+01  0.155489D+01 -0.758795D+01 -0.186245D+01
      3  -0.475266D+00 -0.383959D+00  0.110001D+02  0.139423D+01  0.851437D+01
                76            77            78            79            80 
      1  -0.323864D+01 -0.281531D+00  0.103900D+01 -0.411398D+01  0.529303D+01
      2  -0.763575D+01 -0.305054D+01  0.101646D+02 -0.912103D+01  0.115151D+02
      3   0.955401D+01 -0.347165D+01  0.632976D+01  0.841876D+01  0.564826D+01
                81            82            83            84            85 
      1   0.197678D+01  0.517888D+01  0.437591D+01  0.562515D+01  0.539938D+01
      2   0.897884D+00  0.212357D+00 -0.124380D+02  0.320573D+01 -0.112548D+02
      3  -0.796369D+01  0.547767D+01 -0.877451D+01  0.688312D+01 -0.256584D+01
                86            87            88            89            90 
      1   0.409306D+01 -0.738785D+01  0.623333D+01 -0.801474D+00 -0.956857D+01
      2  -0.107091D+01  0.751191D+00 -0.300530D+01 -0.166681D-01  0.317298D+01
      3   0.231041D+01 -0.380645D+01  0.554222D+01 -0.319440D+01 -0.588459D+01
                91            92            93            94            95 
      1  -0.208489D+01  0.758740D+00 -0.538415D+00  0.215920D+01 -0.462257D+01
      2  -0.157777D+00  0.124089D+01 -0.995818D+00  0.314907D+01 -0.639913D+00
      3   0.197163D+00 -0.167088D+01  0.598830D+00 -0.741196D+00  0.171393D+01
                96            97            98            99           100 
      1   0.543237D+01 -0.128710D+01  0.605274D+01 -0.983400D+01  0.242599D+01
      2  -0.180278D+01 -0.448359D+01 -0.881465D+00  0.220958D+01 -0.269029D+01
      3  -0.146810D+01  0.101334D+01 -0.942036D+00  0.278971D+01  0.187965D+01
               101           102           103           104           105 
      1   0.256373D+01 -0.579833D+00  0.256020D+01  0.798172D+01 -0.809064D+00
      2  -0.220232D+01  0.125852D+01 -0.373714D+01 -0.220701D+01  0.166415D+00
      3  -0.997695D-01 -0.102993D+00  0.402019D+01 -0.214588D+01 -0.399306D+00
               106           107           108           109           110 
      1  -0.583369D+00  0.904495D+00 -0.938077D-01 -0.149994D+01 -0.507805D+00
      2  -0.498757D+00 -0.408388D+00 -0.876665D+00  0.153427D+01  0.140537D+01
      3   0.415720D+00  0.158483D+00  0.119129D+01  0.108622D+02  0.368855D+01
               111           112           113           114           115 
      1  -0.217157D+01 -0.869844D+00 -0.354351D+00 -0.153066D+01 -0.118863D+01
      2   0.159290D+01  0.838024D+00  0.955670D+00  0.738041D+00  0.172869D-02
      3   0.401005D+00  0.443246D+01  0.375275D+01 -0.256326D-01  0.145531D+01
               116           117           118           119           120 
      1  -0.289756D+00  0.135936D+00  0.212915D+00 -0.266056D+00 -0.177950D+00
      2   0.647381D+00  0.311009D+00  0.239438D+01  0.139538D+01 -0.850226D+00
      3   0.195811D+00  0.743052D+00  0.176974D+01  0.111502D+01 -0.171016D+01
               121           122           123           124           125 
      1   0.149314D+00 -0.745588D+00 -0.292657D+01  0.240023D+00  0.484860D+00
      2   0.175772D+01  0.583477D+01 -0.686192D+01 -0.175182D+01 -0.675288D+01
      3   0.193836D+01  0.101272D+02 -0.634766D+01 -0.230556D+01 -0.690276D+01
               126           127           128           129           130 
      1   0.292750D+01 -0.181850D+01  0.100649D+01  0.219964D+01  0.164339D+01
      2   0.881751D+01 -0.415115D+01  0.320098D+01  0.525539D+01  0.287054D+01
      3   0.649075D+01  0.245657D+00 -0.333622D+01 -0.151873D+01 -0.182132D+01
               131           132           133           134           135 
      1  -0.146478D+01 -0.365854D+01  0.220179D+01 -0.727240D+00 -0.532515D+01
      2  -0.407139D+01 -0.583088D+01  0.391638D+01 -0.567582D+01 -0.109830D+02
      3   0.621922D+01  0.253474D+01 -0.144779D+01  0.491727D+01  0.385522D+01
               136           137           138           139           140 
      1   0.211524D+01  0.186937D+01  0.961069D+00  0.144132D+01  0.217480D+01
      2   0.173555D+01  0.128562D+01  0.518554D+01  0.141191D+01  0.149080D+01
      3  -0.906378D+01 -0.734929D+01 -0.356158D+01 -0.558921D+01 -0.779689D+01
               141           142           143           144           145 
      1  -0.325856D+00  0.154074D+01  0.161487D+01  0.619820D+00 -0.198264D+01
      2   0.260142D+01  0.251037D+01  0.345793D+00  0.336668D+01 -0.845830D+01
      3  -0.301072D+01 -0.343740D+01 -0.337607D+01 -0.192018D+01 -0.976838D+01
               146           147           148           149           150 
      1   0.227315D+01  0.121766D+01  0.124281D+01 -0.361756D+01 -0.759125D+00
      2   0.515386D+01 -0.202427D+01  0.508868D+01 -0.434298D+01  0.208830D+01
      3   0.496567D+01 -0.297565D+01  0.705607D+01 -0.639306D+01  0.311707D+01
               151           152           153           154           155 
      1   0.110287D+00  0.130126D+01  0.111055D+01 -0.463131D+01 -0.423290D+01
      2  -0.356632D+01  0.262287D+01 -0.313454D+01  0.600741D+01  0.449103D+01
      3  -0.272108D+01  0.220305D+01 -0.251541D+01  0.247009D+01 -0.188060D+01
               156           157           158           159           160 
      1  -0.337746D+01 -0.430409D+01 -0.568833D+01 -0.252956D+01 -0.220926D+01
      2   0.398414D+01  0.474433D+01  0.379639D+01  0.224190D+01  0.167674D+01
      3  -0.591540D-01  0.182768D+01 -0.358606D+01  0.413423D+00  0.550224D+00
               161           162           163           164           165 
      1  -0.870187D+00 -0.173594D+01  0.192386D+01 -0.222921D+01 -0.311230D+01
      2   0.151390D+01  0.230692D+01  0.113334D-01  0.753483D+00  0.158136D+01
      3  -0.954806D+00  0.549694D+00  0.137127D+01 -0.178579D+01 -0.269480D+01
               166           167           168           169           170 
      1  -0.193356D+01  0.477559D+01  0.382335D+01 -0.375154D+01  0.614811D+01
      2  -0.133951D+00 -0.110907D+01 -0.297782D+01 -0.138877D+01 -0.100072D+01
      3  -0.386980D+00  0.306952D+01  0.287778D+01 -0.258781D+01  0.340478D+01
               171 
      1   0.985856D+01
      2  -0.793965D+01
      3   0.463524D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.799924D+01 -0.190779D+01 -0.362110D+01  0.227743D+01 -0.981155D+01
      2  -0.367873D+01  0.392921D+00 -0.178844D+00 -0.244438D+01  0.159455D+02
      3  -0.432051D+01  0.151487D+01  0.379995D+01  0.166953D+00 -0.613393D+01
      4  -0.602044D+01  0.137365D+02  0.391469D+01  0.756038D+01 -0.672278D+01
      5  -0.623525D+01  0.468492D+01  0.128540D+02  0.378723D+01 -0.460088D+01
      6   0.329097D+01  0.480226D+00 -0.993943D+00 -0.147335D+01  0.812017D+01
                 6             7             8             9            10 
      1  -0.480817D+01  0.231534D+01 -0.429395D+01 -0.989364D+01 -0.491526D+02
      2   0.201988D+01  0.310715D+00  0.225726D+01 -0.299237D+01  0.282396D+02
      3   0.278829D+01 -0.262606D+01  0.203669D+01  0.128860D+02  0.209131D+02
      4  -0.249562D+01  0.343542D+01  0.236620D+01 -0.360824D+01 -0.435278D+01
      5   0.692868D+00  0.691698D+01 -0.381333D+01 -0.414662D+01 -0.175934D+02
      6   0.799237D+01 -0.101161D+01  0.939734D+01  0.819563D+01  0.328084D+01
                11            12            13            14            15 
      1  -0.148927D+01 -0.910928D+01 -0.679904D+01  0.112374D+01  0.760655D+01
      2  -0.399783D+01  0.847875D+01  0.283066D+01 -0.152461D+01 -0.133777D+01
      3   0.548709D+01  0.630533D+00  0.396838D+01  0.400872D+00 -0.626877D+01
      4  -0.140345D+02  0.698313D+00  0.321935D+01 -0.306864D+01  0.726439D+00
      5   0.249132D-01 -0.180636D+02 -0.243372D+01  0.103899D+00 -0.157632D+01
      6  -0.445457D+01  0.169640D+01 -0.261430D+00 -0.523530D+01  0.453952D+00
                16            17            18            19            20 
      1  -0.152794D+02  0.672024D+01 -0.101027D+01  0.994444D+02  0.301681D+01
      2   0.743523D+01 -0.687673D+01  0.900301D+00 -0.541256D+02  0.167689D+01
      3   0.784417D+01  0.156486D+00  0.109969D+00 -0.453188D+02 -0.469369D+01
      4  -0.225405D+01 -0.687342D+01  0.129439D+01  0.648455D+00  0.238971D+02
      5  -0.191358D+01  0.288021D+01 -0.690481D+01  0.232090D+02 -0.406698D+00
      6   0.213895D+01 -0.197056D+01 -0.464709D+01 -0.550987D+01  0.248180D+01
                21            22            23            24            25 
      1   0.154501D+02  0.300623D+01  0.974082D+01 -0.158416D+01  0.121770D+02
      2  -0.119696D+02 -0.258853D+01 -0.284788D+00  0.602332D+00 -0.989873D+01
      3  -0.348052D+01 -0.417705D+00 -0.945603D+01  0.981826D+00 -0.227824D+01
      4  -0.865925D+00  0.220630D+02  0.150602D+01  0.548275D+01 -0.819366D+00
      5   0.280158D+02 -0.104371D+01  0.452009D+01  0.429981D+00  0.273120D+02
      6  -0.280526D+01  0.329275D+01 -0.507710D+00  0.512501D+01 -0.250149D+01
                26            27            28            29            30 
      1  -0.843639D+00  0.122553D+02 -0.693764D+01  0.428745D+01  0.236505D+01
      2   0.832893D+00 -0.135932D+02  0.487037D+01 -0.464540D+01 -0.115173D+01
      3   0.107458D-01  0.133785D+01  0.206727D+01  0.357950D+00 -0.121331D+01
      4   0.564043D+01 -0.102250D+01  0.128226D+01  0.196329D+00 -0.108297D+00
      5  -0.782446D-01  0.170599D+02  0.247924D+01  0.323579D+00 -0.173875D+00
      6   0.516667D+01 -0.192572D+01  0.149443D+01 -0.591977D+00 -0.198392D+01
                31            32            33            34            35 
      1  -0.438793D+01  0.751077D+01 -0.648868D+01 -0.347487D+00 -0.835129D+01
      2   0.301200D+01 -0.135137D+02  0.505966D+01 -0.976301D-01  0.151660D+02
      3   0.137593D+01  0.600294D+01  0.142902D+01  0.445117D+00 -0.681468D+01
      4  -0.342375D+01 -0.228186D+01  0.164588D+01 -0.350155D+00 -0.204466D+00
      5  -0.249346D+00  0.359592D+00 -0.354197D+01 -0.237928D+01 -0.110450D+01
      6   0.149966D+01  0.228247D+01 -0.309942D+01 -0.165068D+00 -0.206013D+01
                36            37            38            39            40 
      1   0.916666D+01  0.154090D+01  0.828763D+01 -0.443225D+01  0.131522D+02
      2   0.999163D+01 -0.825299D+00 -0.213937D+01  0.285797D+01 -0.410851D+01
      3  -0.191583D+02 -0.715601D+00 -0.614826D+01  0.157428D+01 -0.904369D+01
      4   0.519818D+00  0.110798D+02 -0.455959D+00  0.508047D+01 -0.116490D+01
      5  -0.487120D+01 -0.507844D+01  0.567267D+01  0.196904D+01  0.962603D+01
      6  -0.100354D+02 -0.312248D+01  0.456655D+01  0.636971D+00  0.351093D+01
                41            42            43            44            45 
      1   0.473007D+00  0.700418D+01 -0.320569D+01  0.690314D+01  0.368089D+01
      2   0.281807D+01 -0.415106D+01  0.135019D+01 -0.251866D+01 -0.566826D+01
      3  -0.329107D+01 -0.285312D+01  0.185550D+01 -0.438449D+01  0.198737D+01
      4  -0.643466D+00  0.303798D+01  0.816220D+01  0.225845D+01 -0.831183D+01
      5   0.386194D+01 -0.897712D+01  0.331597D+01 -0.900494D+01  0.283838D+01
      6   0.408932D+01 -0.549903D+01 -0.190466D+01 -0.552755D+01  0.296237D+01
                46            47            48            49            50 
      1  -0.368866D+01  0.394380D+01  0.798279D+01  0.274555D+01  0.695045D+01
      2  -0.705943D+00 -0.727495D+01 -0.744388D+00 -0.718982D+01 -0.111471D+02
      3   0.439460D+01  0.333115D+01 -0.723840D+01  0.444427D+01  0.419669D+01
      4  -0.228902D+01 -0.110513D+02 -0.345494D+01 -0.631075D+01 -0.818338D+01
      5   0.339903D+01 -0.536257D+01 -0.682847D+01 -0.438826D+01 -0.657790D+01
      6   0.789998D+00 -0.942689D+01 -0.563953D+01 -0.813451D+01 -0.110225D+02
                51            52            53            54            55 
      1  -0.753522D+01  0.595108D+01 -0.581842D+01  0.670127D+01  0.377546D+01
      2  -0.107316D+02 -0.168218D+01 -0.699825D+01  0.995493D+01 -0.729956D+01
      3   0.182669D+02 -0.426891D+01  0.128167D+02 -0.166562D+02  0.352410D+01
      4  -0.476495D+01 -0.144928D+01 -0.272585D+01  0.112443D+01 -0.160837D+02
      5   0.384919D+01 -0.263268D+01  0.153595D+01 -0.562406D+01 -0.159537D+01
      6  -0.241132D+01 -0.287292D+01 -0.278750D+00  0.645233D+01 -0.367862D+01
                56            57            58            59            60 
      1   0.180124D+01 -0.317825D+00  0.302990D+01 -0.205923D+02  0.627867D+01
      2  -0.891105D+01  0.672528D+00 -0.541055D+01  0.312012D+02 -0.337836D+01
      3   0.710982D+01 -0.354702D+00  0.238064D+01 -0.106089D+02 -0.290032D+01
      4  -0.456676D+01 -0.276819D+01  0.793049D+00 -0.347222D+01 -0.197006D+01
      5  -0.501133D+00  0.350107D+01 -0.216679D+00 -0.126444D+01  0.190510D+01
      6  -0.174684D+01 -0.700402D+00 -0.172488D+01 -0.523929D+01  0.873326D+01
                61            62            63            64            65 
      1  -0.955940D+00  0.822690D+01 -0.868545D+01 -0.246800D-01 -0.463002D+00
      2  -0.616492D+00 -0.134313D+02  0.324004D+01 -0.314772D+01 -0.605222D-01
      3   0.157243D+01  0.520439D+01  0.544541D+01  0.317240D+01  0.523524D+00
      4  -0.546229D+01 -0.419427D+01  0.581259D+00 -0.315101D+00  0.234031D+01
      5   0.352458D+01  0.190822D+01 -0.236247D+01  0.106042D+01  0.115761D+01
      6  -0.832433D+00  0.115358D+02 -0.572755D+01  0.225676D+01  0.187844D+00
                66            67            68            69            70 
      1   0.359207D+00  0.175410D+00 -0.570837D+01 -0.372847D+01  0.601790D+00
      2  -0.703723D+00 -0.141572D+00  0.285368D+01  0.132629D+01 -0.525864D+00
      3   0.344516D+00 -0.338373D-01  0.285469D+01  0.240218D+01 -0.759257D-01
      4   0.235995D+01  0.177708D+01  0.624227D+00  0.326880D+00  0.163263D+01
      5   0.622876D+01  0.737047D+00  0.570064D+00  0.629891D+00  0.563756D+01
      6   0.560352D+00  0.256779D+00  0.494197D+01  0.814240D+01  0.741476D+00
                71            72            73            74            75 
      1  -0.487234D+01 -0.183833D+02 -0.118523D+02 -0.163510D+02 -0.408426D+01
      2   0.111723D+01 -0.142398D+02  0.105029D+02  0.102450D+02  0.596568D+01
      3   0.375511D+01  0.326230D+02  0.134939D+01  0.610599D+01 -0.188142D+01
      4   0.813789D+00  0.261015D+00 -0.168655D+02 -0.917700D+00 -0.157200D+02
      5   0.107293D+01  0.492158D+01 -0.171712D+01 -0.174985D+02 -0.848141D+01
      6   0.769172D+01  0.162129D+02 -0.506738D+01  0.376901D+01  0.491019D+00
                76            77            78            79            80 
      1  -0.217728D+02 -0.246228D+00 -0.200157D+02 -0.408805D+01 -0.188753D+02
      2   0.138419D+02  0.469881D+00  0.104606D+02  0.657532D+01  0.876290D+01
      3   0.793090D+01 -0.223653D+00  0.955508D+01 -0.248727D+01  0.101124D+02
      4  -0.348898D+01  0.391749D+01 -0.118370D+01 -0.184828D+02  0.107419D+01
      5  -0.210861D+02 -0.399128D+01  0.133318D+02 -0.119954D+02  0.152926D+02
      6   0.317298D+01  0.199615D+01 -0.904018D+01  0.357901D+01 -0.974485D+01
                81            82            83            84            85 
      1  -0.242437D+01  0.402323D+01 -0.189445D+02  0.389072D+01 -0.191352D+02
      2  -0.211847D+01 -0.104383D+02  0.202884D+01 -0.111759D+02 -0.153242D+00
      3   0.454284D+01  0.641507D+01  0.169157D+02  0.728516D+01  0.192885D+02
      4   0.158728D+02 -0.123747D+02 -0.140744D+02 -0.481183D+01 -0.139617D+02
      5   0.381799D+01  0.353334D+00  0.109577D+01 -0.515526D+01 -0.134881D+01
      6  -0.352808D-01  0.773166D+01 -0.710238D+01  0.615297D+01 -0.682458D+01
                86            87            88            89            90 
      1  -0.197518D+01 -0.282646D+01  0.174581D+01 -0.393401D+01 -0.196345D+01
      2  -0.410418D+01  0.100936D+02 -0.117237D+02  0.761903D+01  0.144522D+02
      3   0.607936D+01 -0.726718D+01  0.997786D+01 -0.368502D+01 -0.124887D+02
      4  -0.439664D+01 -0.734679D+01 -0.860061D+01 -0.989049D+01  0.928113D+01
      5  -0.333851D+01  0.176461D+02 -0.563815D+01  0.154954D+02  0.891813D+01
      6  -0.658958D+00  0.529201D+01  0.685569D+01  0.599685D+01 -0.764876D+01
                91            92            93            94            95 
      1  -0.643602D+00 -0.665926D+00 -0.593652D-01 -0.758657D+00 -0.490539D+01
      2  -0.430255D+01  0.125966D+01 -0.164373D+01  0.243098D+01 -0.144009D+01
      3   0.494615D+01 -0.593736D+00  0.170309D+01 -0.167232D+01  0.634547D+01
      4  -0.259264D+00  0.207608D+01  0.868318D+00  0.152379D+01 -0.499907D-01
      5   0.190234D+01 -0.125976D+01  0.826193D+01 -0.276789D+01  0.241117D+01
      6  -0.843186D+00  0.116204D+01  0.612156D+00  0.262888D+01 -0.319625D+01
                96            97            98            99           100 
      1   0.712393D+01 -0.197286D+01  0.295232D+01 -0.210137D+02  0.189822D+00
      2   0.840389D+01 -0.178354D+01  0.447388D+01 -0.197476D+02  0.466556D+01
      3  -0.155278D+02  0.375641D+01 -0.742619D+01  0.407613D+02 -0.485538D+01
      4   0.203985D+01  0.836050D+00  0.163062D+01 -0.110062D+01  0.884754D+01
      5  -0.384214D+01  0.691423D+01 -0.896739D+00  0.853074D+01  0.503670D+01
      6   0.601999D+01  0.383628D-01  0.565954D+01  0.219377D+00  0.571275D+01
               101           102           103           104           105 
      1  -0.284503D+01 -0.204829D+01 -0.314462D+01 -0.178555D+02 -0.690298D+01
      2   0.632184D+01  0.974011D+00  0.649492D+01  0.282045D+02  0.696933D+01
      3  -0.347681D+01  0.107428D+01 -0.335030D+01 -0.103489D+02 -0.663527D-01
      4   0.115719D+02  0.414054D+01  0.107230D+02  0.151177D+02  0.490638D+01
      5   0.600002D+01  0.489851D+01  0.516316D+01  0.633905D+01  0.397548D+01
      6   0.708355D+01  0.530465D+01  0.619162D+01  0.213830D+02  0.124613D+02
               106           107           108           109           110 
      1  -0.250863D+01 -0.369997D+01 -0.605972D+01  0.178759D+01 -0.295608D+01
      2   0.314161D+00  0.215241D+01  0.202942D+01  0.877958D+01  0.135331D+02
      3   0.219447D+01  0.154756D+01  0.403030D+01 -0.105672D+02 -0.105771D+02
      4   0.153589D+01  0.245369D+01  0.340290D+01  0.206932D+02  0.181968D+02
      5   0.261976D+01  0.301817D+01  0.341122D+01 -0.201418D+00 -0.239959D+00
      6   0.376765D+01  0.879253D+01  0.622129D+01  0.174301D+01  0.982748D+00
               111           112           113           114           115 
      1   0.706413D-01 -0.162328D+01 -0.497472D+01 -0.161329D+00 -0.231397D+00
      2  -0.411968D+00  0.783477D+01  0.139781D+02  0.381014D+00  0.119695D+01
      3   0.341327D+00 -0.621149D+01 -0.900338D+01 -0.219685D+00 -0.965557D+00
      4   0.397367D+00  0.117641D+02  0.115182D+02  0.809055D-01  0.264870D+01
      5   0.194117D+01 -0.327688D+00  0.155124D+00  0.851869D+00  0.266259D+01
      6   0.302532D+01  0.719393D+00  0.113145D+01  0.252746D+01  0.318843D+01
               116           117           118           119           120 
      1  -0.897824D+00 -0.765688D+00 -0.219778D+01 -0.190631D+01  0.434952D+01
      2   0.195884D+01  0.100487D+01  0.114329D+01  0.116854D+01 -0.169369D+01
      3  -0.106102D+01 -0.239185D+00  0.105448D+01  0.737770D+00 -0.265583D+01
      4   0.242309D+01  0.288468D+01  0.917891D+00  0.145032D+01 -0.209076D+00
      5   0.181280D+01  0.464637D+00  0.169570D+01  0.635203D+00  0.118554D+01
      6   0.391413D+01  0.293627D+00 -0.178211D+01 -0.108641D+01  0.773848D+00
               121           122           123           124           125 
      1  -0.311524D+01 -0.904591D+01  0.834545D+01  0.605479D+01  0.852154D+01
      2   0.971084D+00  0.120704D+02 -0.580222D+01 -0.309360D+01 -0.583026D+01
      3   0.214415D+01 -0.302445D+01 -0.254323D+01 -0.296119D+01 -0.269129D+01
      4   0.616813D+01 -0.161710D+02  0.918977D+01 -0.293418D+01  0.102820D+02
      5  -0.977953D+00  0.969142D+01 -0.113584D+02  0.562002D+01 -0.114033D+02
      6   0.681142D+00 -0.115699D+02  0.112587D+02 -0.128982D+01  0.118099D+02
               126           127           128           129           130 
      1  -0.864350D+01  0.162805D+02 -0.490524D+01 -0.684864D+01 -0.474317D+01
      2   0.916563D+00 -0.700164D+01 -0.290778D+00  0.212079D+01 -0.135469D+01
      3   0.772693D+01 -0.927887D+01  0.519602D+01  0.472785D+01  0.609786D+01
      4  -0.106447D+02 -0.103117D+02  0.988403D+01  0.810457D+01  0.127768D+02
      5   0.146086D+02 -0.911093D+01  0.693735D+01  0.102309D+02  0.776270D+01
      6  -0.123692D+02  0.419740D+01 -0.263170D+01 -0.301677D+01 -0.363665D+01
               131           132           133           134           135 
      1   0.203327D+01  0.296981D+01 -0.124203D+02  0.436165D+01  0.352539D+01
      2   0.548490D+01  0.128132D+01  0.498420D+01  0.145823D+01 -0.271002D+01
      3  -0.751817D+01 -0.425114D+01  0.743605D+01 -0.581989D+01 -0.815371D+00
      4  -0.164208D+02 -0.875007D+01  0.134204D+02 -0.130280D+02 -0.121182D+02
      5  -0.793904D+01 -0.985341D+01  0.145304D+02 -0.113926D+02 -0.211852D+02
      6   0.598879D+01  0.747163D+01 -0.542059D+01  0.827657D+01  0.996539D+01
               136           137           138           139           140 
      1   0.454872D+02  0.118285D+02  0.112979D+02  0.223789D+02  0.903227D+01
      2  -0.267930D+02 -0.762258D+01 -0.883739D+01 -0.133949D+02 -0.494550D+01
      3  -0.186942D+02 -0.420596D+01 -0.246047D+01 -0.898400D+01 -0.408677D+01
      4   0.857451D+01  0.971334D+01  0.380762D+01  0.116770D+02  0.121621D+02
      5   0.161431D+02  0.590476D+01  0.126037D+02  0.992248D+01  0.568895D+01
      6   0.153503D+01  0.112645D+01  0.249900D+00  0.188115D+01  0.253049D+01
               141           142           143           144           145 
      1   0.625314D+01  0.122308D+02  0.431268D+01  0.789007D+01 -0.927243D+01
      2  -0.533601D+01 -0.984460D+01 -0.356626D+01 -0.713497D+01  0.769345D+01
      3  -0.917129D+00 -0.238620D+01 -0.746426D+00 -0.755093D+00  0.157898D+01
      4   0.425551D+01  0.399160D+01  0.386191D+01  0.144423D+01 -0.710066D+01
      5   0.647626D+01  0.145902D+02  0.282172D+01  0.101181D+02  0.839675D+01
      6   0.318812D+01  0.360667D+00  0.338260D+01  0.100943D+01 -0.695895D+01
               146           147           148           149           150 
      1   0.126725D+02 -0.807124D+01  0.100030D+02 -0.147240D+02  0.781936D+01
      2  -0.105153D+02  0.292576D+01 -0.791511D+01  0.168939D+02 -0.544519D+01
      3  -0.215728D+01  0.514548D+01 -0.208790D+01 -0.216989D+01 -0.237418D+01
      4   0.452222D+01 -0.721783D+00  0.598817D+01 -0.539851D-01  0.684492D+00
      5  -0.336635D+01  0.217662D+01 -0.382774D+01  0.233094D+01 -0.197335D+01
      6   0.985483D+01 -0.858915D+01  0.641324D+01 -0.130632D+02  0.843389D+01
               151           152           153           154           155 
      1  -0.489473D+01  0.693181D+01 -0.779143D+01  0.202826D+02  0.931058D+01
      2   0.230914D+01 -0.364146D+01  0.239873D+00 -0.125817D+01  0.503034D+01
      3   0.258559D+01 -0.329035D+01  0.755155D+01 -0.190244D+02 -0.143409D+02
      4  -0.777881D+00  0.141267D+01 -0.195842D+01  0.248064D+02  0.208048D+02
      5   0.353930D+01 -0.206549D+01  0.116866D+00 -0.737565D+01 -0.491544D+01
      6  -0.551217D+01  0.753031D+01 -0.689941D+01 -0.409007D+01 -0.360044D+01
               156           157           158           159           160 
      1   0.177678D+01  0.854065D+01  0.177486D+01  0.135060D+01  0.501326D+01
      2   0.233279D+01  0.551590D+01  0.140923D+02  0.499858D+00  0.141450D+01
      3  -0.410957D+01 -0.140566D+02 -0.158671D+02 -0.185046D+01 -0.642776D+01
      4   0.533362D+00  0.199800D+02  0.229157D+02  0.924759D+00  0.578355D+01
      5   0.624865D+01 -0.465267D+01 -0.366595D+01  0.198401D+01  0.390616D+01
      6   0.360614D+01 -0.314562D+01 -0.596886D+01  0.387315D+01  0.222709D+01
               161           162           163           164           165 
      1   0.147992D+01  0.257326D+01  0.428145D+01  0.176666D+00 -0.355084D+01
      2   0.276651D+01 -0.553207D+00 -0.697959D+01  0.235503D+01  0.948289D+01
      3  -0.424643D+01 -0.202006D+01  0.269814D+01 -0.253170D+01 -0.593205D+01
      4   0.601434D+01  0.373609D+01  0.129098D+01  0.395302D+01 -0.102712D+00
      5   0.116797D+01  0.994279D+00 -0.107183D+02  0.225607D+01  0.134233D+02
      6   0.238910D+01  0.243374D+01 -0.980201D+00 -0.105384D+01  0.619232D+00
               166           167           168           169           170 
      1  -0.127484D+01 -0.294777D+00 -0.146212D+01 -0.288523D+01  0.414925D+00
      2   0.466013D+01 -0.406279D+01 -0.939239D+01  0.106761D+02 -0.646387D+01
      3  -0.338529D+01  0.435756D+01  0.108545D+02 -0.779088D+01  0.604895D+01
      4   0.332830D+01 -0.412828D+01 -0.274071D+01 -0.315804D+00 -0.331489D+01
      5   0.632185D+01 -0.465423D+01 -0.106498D+02  0.144613D+02 -0.507858D+01
      6  -0.997807D+00  0.514070D+01  0.391299D+01  0.781713D+00  0.528091D+01
               171 
      1  -0.904929D+01
      2  -0.238628D+02
      3   0.329120D+02
      4  -0.163822D+01
      5  -0.266563D+02
      6  -0.353532D+01
 Leave Link  716 at Fri Jul 23 16:17:01 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.909920D+02  0.216829D+01  0.404970D+01
      2   0.216829D+01  0.772421D+02  0.114243D+01
      3   0.404970D+01  0.114243D+01  0.748363D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.336783D+01  0.940702D+01  0.413832D+01
      2   0.346411D+01  0.646287D+01 -0.266885D+02
      3  -0.102100D+02  0.288493D+02 -0.781351D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.330119D+02  0.432983D+01  0.146318D+02
      2   0.190348D+02 -0.515940D+00 -0.247045D+02
      3   0.139771D+02 -0.381389D+01  0.100727D+02
      4  -0.863653D+01 -0.598299D+02  0.629836D+01
      5   0.273665D+02  0.802291D+01 -0.644447D+02
      6  -0.364603D+01  0.160563D+00 -0.133600D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.340059D+01 -0.188364D+01 -0.108885D+01 -0.155209D+01  0.545045D+00
      2  -0.188364D+01  0.201112D+00  0.475695D+00  0.545045D+00 -0.363471D+01
      3  -0.108885D+01  0.475695D+00 -0.540429D+00  0.104183D+00 -0.113825D+01
                 6             7             8             9            10 
      1   0.104183D+00 -0.840748D+00 -0.201947D+00  0.220654D+00 -0.685075D+01
      2  -0.113825D+01 -0.201947D+00 -0.165271D+01 -0.135122D+01 -0.189860D+01
      3  -0.717413D+00  0.220654D+00 -0.135122D+01 -0.277519D+01 -0.340028D+01
                11            12            13            14            15 
      1  -0.189860D+01 -0.340028D+01 -0.102987D+01  0.685497D+00  0.829362D+00
      2  -0.969516D+00  0.521736D+00  0.685497D+00 -0.218287D+00  0.134665D+00
      3   0.521736D+00 -0.658165D+00  0.829362D+00  0.134665D+00  0.478478D+00
                16            17            18            19            20 
      1  -0.183695D+01  0.584516D+00  0.163230D+00  0.169476D+02  0.873521D+00
      2   0.584516D+00  0.409113D+00  0.616424D+00  0.873521D+00  0.304598D+01
      3   0.163230D+00  0.616424D+00  0.117888D+01  0.395898D+01  0.223465D+00
                21            22            23            24            25 
      1   0.395898D+01 -0.106144D-01  0.321108D+01 -0.282427D+00  0.269370D+01
      2   0.223465D+00  0.321108D+01  0.912075D+00  0.978983D+00  0.351658D-01
      3   0.306830D+01 -0.282427D+00  0.978983D+00  0.480739D-01  0.400343D+01
                26            27            28            29            30 
      1   0.351658D-01  0.400343D+01  0.114714D+01  0.345563D+01  0.138797D+01
      2   0.754134D+00  0.901993D-01  0.345563D+01 -0.338875D+00 -0.136832D+00
      3   0.901993D-01  0.286209D+01  0.138797D+01 -0.136832D+00  0.192835D+00
                31            32            33            34            35 
      1   0.252590D+01 -0.458853D+00  0.124277D+00  0.114160D+01 -0.148104D+00
      2  -0.458853D+00 -0.179571D+01  0.138791D+01 -0.148104D+00  0.224963D+01
      3   0.124277D+00  0.138791D+01 -0.698160D+00  0.676064D-01 -0.191550D+01
                36            37            38            39            40 
      1   0.676064D-01 -0.157401D+01 -0.324968D+01  0.938550D+00 -0.306412D+01
      2  -0.191550D+01 -0.324968D+01 -0.584946D+00 -0.249869D+01 -0.290002D+00
      3  -0.592918D+01  0.938550D+00 -0.249869D+01 -0.119430D+01 -0.253382D+01
                41            42            43            44            45 
      1  -0.290002D+00 -0.253382D+01  0.981113D+00 -0.279962D+01 -0.106972D+01
      2   0.236842D+00 -0.956269D+00 -0.279962D+01 -0.166557D+01  0.370530D+01
      3  -0.956269D+00  0.441131D+01 -0.106972D+01  0.370530D+01  0.703187D+00
                46            47            48            49            50 
      1  -0.120331D+01  0.116174D+01 -0.927698D+00  0.621038D+00  0.235144D+01
      2   0.116174D+01  0.259075D+01  0.880914D+00  0.235144D+01  0.278470D+01
      3  -0.927698D+00  0.880914D+00  0.269946D+01  0.104398D+01  0.165039D+01
                51            52            53            54            55 
      1   0.104398D+01 -0.925759D+00  0.118854D+01  0.178427D+01 -0.391381D+01
      2   0.165039D+01  0.118854D+01  0.906817D+00 -0.299320D+01 -0.172866D+01
      3  -0.415945D+01  0.178427D+01 -0.299320D+01  0.239418D+01 -0.108547D+01
                56            57            58            59            60 
      1  -0.172866D+01 -0.108547D+01 -0.674329D+00 -0.856705D+00 -0.169187D+00
      2  -0.282582D+01 -0.911435D-01 -0.856705D+00  0.460128D+01 -0.150876D+01
      3  -0.911435D-01 -0.715278D+00 -0.169187D+00 -0.150876D+01 -0.787137D-01
                61            62            63            64            65 
      1  -0.175778D+01 -0.473353D+00 -0.356870D-01 -0.169627D+00 -0.922183D-01
      2  -0.473353D+00 -0.303909D+01  0.188591D+01 -0.922183D-01 -0.240838D-01
      3  -0.356870D-01  0.188591D+01 -0.871624D+00  0.119401D+01  0.739302D-01
                66            67            68            69            70 
      1   0.119401D+01 -0.933182D-02  0.119644D+00  0.819835D-01  0.133756D+01
      2   0.739302D-01  0.119644D+00  0.129268D+01  0.123666D+01  0.329454D+00
      3   0.695769D-01  0.819835D-01  0.123666D+01  0.981525D+00  0.183664D+00
                71            72            73            74            75 
      1   0.329454D+00  0.183664D+00  0.150987D+01  0.330059D+01 -0.146486D+00
      2   0.174705D+01  0.133278D+01  0.330059D+01  0.207611D+00  0.329660D+01
      3   0.133278D+01  0.811939D+01 -0.146486D+00  0.329660D+01  0.116980D+01
                76            77            78            79            80 
      1   0.381465D+01  0.845105D+00  0.329905D+01 -0.121787D+00  0.320457D+01
      2   0.845105D+00 -0.131980D+01  0.129918D+01  0.320457D+01  0.109425D+01
      3   0.329905D+01  0.129918D+01 -0.353265D+01  0.185088D+01 -0.376129D+01
                81            82            83            84            85 
      1   0.185088D+01  0.341608D+00  0.425887D+01 -0.853562D+00  0.410696D+01
      2  -0.376129D+01  0.425887D+01  0.100455D+00  0.291754D+01  0.309289D+00
      3  -0.271384D+00 -0.853562D+00  0.291754D+01  0.569504D+00  0.306124D+01
                86            87            88            89            90 
      1   0.309289D+00  0.306124D+01 -0.491808D+00  0.330175D+01  0.920836D+00
      2   0.132934D+01  0.398247D+00  0.330175D+01  0.127573D+01 -0.318299D+01
      3   0.398247D+00 -0.397457D+01  0.920836D+00 -0.318299D+01 -0.215902D+01
                91            92            93            94            95 
      1  -0.147818D+00  0.470049D+00 -0.125344D+01  0.117016D+01 -0.724301D+00
      2   0.470049D+00 -0.323335D+00  0.368083D-01 -0.724301D+00  0.100208D+01
      3  -0.125344D+01  0.368083D-01 -0.718626D+00  0.127895D+00 -0.182652D+01
                96            97            98            99           100 
      1   0.127895D+00 -0.159046D+01  0.426838D-01 -0.917565D+00 -0.188494D+01
      2  -0.182652D+01  0.426838D-01 -0.129858D+01  0.152443D+01 -0.201055D+01
      3   0.336590D+01 -0.917565D+00  0.152443D+01 -0.806469D+01 -0.607376D+00
               101           102           103           104           105 
      1  -0.201055D+01 -0.607376D+00 -0.211096D+01 -0.210921D+01 -0.751852D+00
      2  -0.225890D+01 -0.913611D+00 -0.210921D+01 -0.697575D+01 -0.234160D+01
      3  -0.913611D+00 -0.114637D+01 -0.751852D+00 -0.234160D+01 -0.160695D+01
               106           107           108           109           110 
      1  -0.161028D+00 -0.474868D+00 -0.978924D+00  0.449235D+01  0.314730D+01
      2  -0.474868D+00 -0.111991D+01 -0.113735D+01  0.314730D+01  0.402912D+01
      3  -0.978924D+00 -0.113735D+01 -0.160976D+01  0.372176D-01 -0.151319D+00
               111           112           113           114           115 
      1   0.372176D-01  0.229245D+01  0.200447D+01 -0.204170D-01  0.525500D+00
      2  -0.151319D+00  0.200447D+01  0.334311D+01  0.261973D-02  0.405503D+00
      3   0.870994D+00 -0.204170D-01  0.261973D-02  0.574416D+00  0.550756D+00
               116           117           118           119           120 
      1   0.405503D+00  0.550756D+00  0.576613D+00  0.264498D+00 -0.603344D+00
      2   0.630699D+00  0.616474D+00  0.264498D+00  0.479989D+00 -0.532874D+00
      3   0.616474D+00 -0.587535D-01 -0.603344D+00 -0.532874D+00  0.436816D+00
               121           122           123           124           125 
      1   0.818458D+00 -0.500165D+00 -0.339216D-01 -0.129673D+01  0.984016D-01
      2  -0.500165D+00  0.420894D+01 -0.246958D+01  0.984016D-01 -0.277722D+01
      3  -0.339216D-01 -0.246958D+01  0.267544D+01 -0.525872D+00  0.283847D+01
               126           127           128           129           130 
      1  -0.525872D+00 -0.299125D+01  0.116338D+01  0.147681D+01  0.132919D+01
      2   0.283847D+01  0.116338D+01 -0.120381D+01 -0.101977D+01 -0.176132D+01
      3  -0.382470D+01  0.147681D+01 -0.101977D+01 -0.133695D+01 -0.123118D+01
               131           132           133           134           135 
      1  -0.176132D+01 -0.123118D+01  0.293856D+01 -0.184128D+01 -0.210755D+01
      2   0.291076D+01  0.138203D+01 -0.184128D+01  0.219365D+01  0.209515D+01
      3   0.138203D+01  0.181709D+01 -0.210755D+01  0.209515D+01  0.376985D+01
               136           137           138           139           140 
      1  -0.689034D+01 -0.184990D+01 -0.184171D+01 -0.386088D+01 -0.181845D+01
      2  -0.184990D+01 -0.146588D+01 -0.796154D+00 -0.181845D+01 -0.199380D+01
      3  -0.184171D+01 -0.796154D+00 -0.158883D+01 -0.130813D+01 -0.849420D+00
               141           142           143           144           145 
      1  -0.130813D+01 -0.217791D+01 -0.819366D+00 -0.192737D+01  0.360817D+01
      2  -0.849420D+00 -0.819366D+00 -0.780056D+00 -0.241870D+00 -0.218852D+01
      3  -0.821608D+00 -0.192737D+01 -0.241870D+00 -0.148878D+01  0.101414D+01
               146           147           148           149           150 
      1  -0.218852D+01  0.101414D+01 -0.207413D+01  0.164998D+01 -0.949211D+00
      2   0.264146D+01 -0.158012D+01  0.164998D+01 -0.379494D+01  0.147725D+01
      3  -0.158012D+01  0.182094D+01 -0.949211D+00  0.147725D+01 -0.977180D+00
               151           152           153           154           155 
      1   0.817964D+00 -0.897325D+00  0.933720D+00 -0.481956D+01 -0.319538D+01
      2  -0.897325D+00  0.100769D+01 -0.924477D+00 -0.319538D+01 -0.282101D+01
      3   0.933720D+00 -0.924477D+00  0.172244D+01  0.655322D-01 -0.175115D+00
               156           157           158           159           160 
      1   0.655322D-01 -0.300792D+01 -0.268475D+01 -0.269009D+00 -0.109150D+01
      2  -0.175115D+00 -0.268475D+01 -0.423578D+01 -0.272727D-02 -0.944772D+00
      3  -0.120936D+01 -0.269009D+00 -0.272727D-02 -0.531479D+00 -0.851565D+00
               161           162           163           164           165 
      1  -0.944772D+00 -0.851565D+00 -0.157854D+01  0.155435D-02  0.173500D+01
      2  -0.118263D+01 -0.356988D+00  0.155435D-02 -0.480313D+00 -0.531055D+00
      3  -0.356988D+00 -0.457381D+00  0.173500D+01 -0.531055D+00 -0.178992D+01
               166           167           168           169           170 
      1   0.715436D+00 -0.517796D+00 -0.112282D+01  0.185645D+01 -0.589936D+00
      2  -0.517796D+00  0.134695D+01  0.114519D+01 -0.589936D+00  0.124701D+01
      3  -0.112282D+01  0.114519D+01  0.274593D+01 -0.226481D+01  0.115975D+01
               171 
      1  -0.226481D+01
      2   0.115975D+01
      3   0.676044D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.567503D+00 -0.269086D+00  0.768071D+00 -0.449995D+01  0.322345D+01
      2   0.579221D+01 -0.171442D+01  0.595251D+01 -0.492605D+01  0.147648D+00
      3  -0.536496D+01 -0.397799D+01  0.130080D+01  0.772866D+01  0.286880D+01
                 6             7             8             9            10 
      1  -0.359248D+01  0.226654D+01  0.243354D+00 -0.367996D+01 -0.208318D+01
      2  -0.817803D+00 -0.577100D+01 -0.332903D+01 -0.237496D+01  0.407488D+00
      3   0.235287D+01  0.381912D+01 -0.136459D+01  0.158681D+01  0.529429D+01
                11            12            13            14            15 
      1  -0.338176D+01 -0.903691D+00  0.177825D+01 -0.991617D+01 -0.259505D+01
      2   0.320716D+01 -0.882966D+01  0.769468D+01 -0.181300D+01 -0.829332D+00
      3   0.918961D+01 -0.254519D+01  0.713825D+01 -0.385424D+01  0.295443D+00
                16            17            18            19            20 
      1  -0.267774D+01  0.631787D+01  0.717415D+01  0.112391D+01  0.485202D+01
      2  -0.702334D+01  0.152011D+01 -0.396600D+01  0.213178D+01  0.163180D+01
      3  -0.685770D+01  0.493096D+01  0.916354D+00 -0.643278D+01 -0.173851D+02
                21            22            23            24            25 
      1  -0.324125D-01 -0.375116D+00  0.314238D+01 -0.196859D+01  0.263033D+01
      2   0.163588D+02 -0.287680D+00  0.273785D+01  0.299654D+00  0.369410D+01
      3  -0.181450D+01 -0.354704D+01 -0.150759D+01 -0.146491D+01  0.763281D+00
                26            27            28            29            30 
      1   0.219096D+01 -0.910240D+00  0.250042D+01 -0.148849D+01  0.200159D+01
      2   0.107903D+00  0.701479D+01  0.211116D+01 -0.423255D+01  0.952413D+00
      3  -0.406034D+01 -0.274669D+01 -0.133124D+01 -0.164791D+01  0.152589D+01
                31            32            33            34            35 
      1  -0.238227D+01  0.297753D+00  0.148628D+01  0.949538D+00  0.468620D+01
      2  -0.465814D+01  0.164366D+01 -0.169681D+01 -0.519544D+01 -0.314654D+00
      3   0.442333D+01  0.647563D+01 -0.467218D+00  0.306692D+01 -0.981336D+00
                36            37            38            39            40 
      1   0.916145D+00 -0.508953D+00  0.314712D-02 -0.753449D+00  0.614247D+00
      2  -0.258560D+01 -0.973218D+00  0.515554D+01  0.696121D+01  0.500077D+01
      3   0.120333D+00 -0.471887D+01 -0.490392D+01 -0.399456D+01  0.441571D+01
                41            42            43            44            45 
      1   0.797045D+00 -0.319618D+01 -0.369156D-01  0.514211D+01 -0.114767D+01
      2   0.941975D+00 -0.389793D+01 -0.291473D+01 -0.341777D+01 -0.201456D+01
      3  -0.825233D+00 -0.338396D+00 -0.335079D+01 -0.235328D+00  0.526072D+01
                46            47            48            49            50 
      1  -0.136648D+01 -0.331220D+01  0.475336D+00 -0.337262D+01 -0.550690D+01
      2  -0.419604D+01  0.103624D+01 -0.217216D+01  0.489692D+00  0.251801D+01
      3   0.633458D+01  0.135300D+01  0.208601D+01  0.460512D+01 -0.135642D+00
                51            52            53            54            55 
      1  -0.111486D+02 -0.834059D+00 -0.275499D+01  0.908022D+01  0.260720D+01
      2   0.491549D+01 -0.543758D+01  0.283321D+01  0.204636D+01 -0.199963D+01
      3   0.141848D+01  0.122996D+00 -0.459719D+00 -0.542791D+01 -0.112409D+02
                56            57            58            59            60 
      1   0.900884D+00  0.858965D+00  0.196045D+01  0.500271D+01 -0.659073D+01
      2  -0.194644D+01  0.176463D+01 -0.300951D+00 -0.209091D+01  0.665848D+00
      3  -0.651262D+01 -0.127344D+01  0.212532D+01 -0.546375D+01  0.375759D+00
                61            62            63            64            65 
      1   0.796599D+00  0.640992D+00  0.429874D+01 -0.755243D+00  0.205302D-01
      2  -0.313722D+01  0.906689D-02 -0.106438D+01  0.755354D+00  0.737081D+00
      3  -0.410239D+01  0.148805D+01 -0.129674D+01 -0.650996D-01 -0.100735D+01
                66            67            68            69            70 
      1   0.222600D+00  0.575759D-02  0.136533D+00 -0.188402D+00  0.796975D+00
      2   0.107737D+00 -0.110916D+00  0.328942D+00  0.823592D-01 -0.400573D+01
      3   0.367211D+00  0.887746D+00 -0.272126D+00 -0.365524D+00  0.164262D+01
                71            72            73            74            75 
      1   0.304865D+01 -0.522952D+01 -0.789780D+00 -0.293647D+01 -0.268300D+01
      2  -0.403204D+00  0.277421D+01  0.155489D+01 -0.758795D+01 -0.186245D+01
      3  -0.475266D+00 -0.383959D+00  0.110001D+02  0.139423D+01  0.851437D+01
                76            77            78            79            80 
      1  -0.323864D+01 -0.281531D+00  0.103900D+01 -0.411398D+01  0.529303D+01
      2  -0.763575D+01 -0.305054D+01  0.101646D+02 -0.912103D+01  0.115151D+02
      3   0.955401D+01 -0.347165D+01  0.632976D+01  0.841876D+01  0.564826D+01
                81            82            83            84            85 
      1   0.197678D+01  0.517888D+01  0.437591D+01  0.562515D+01  0.539938D+01
      2   0.897884D+00  0.212357D+00 -0.124380D+02  0.320573D+01 -0.112548D+02
      3  -0.796369D+01  0.547767D+01 -0.877451D+01  0.688312D+01 -0.256584D+01
                86            87            88            89            90 
      1   0.409306D+01 -0.738785D+01  0.623333D+01 -0.801474D+00 -0.956857D+01
      2  -0.107091D+01  0.751191D+00 -0.300530D+01 -0.166681D-01  0.317298D+01
      3   0.231041D+01 -0.380645D+01  0.554222D+01 -0.319440D+01 -0.588459D+01
                91            92            93            94            95 
      1  -0.208489D+01  0.758740D+00 -0.538415D+00  0.215920D+01 -0.462257D+01
      2  -0.157777D+00  0.124089D+01 -0.995818D+00  0.314907D+01 -0.639913D+00
      3   0.197163D+00 -0.167088D+01  0.598830D+00 -0.741196D+00  0.171393D+01
                96            97            98            99           100 
      1   0.543237D+01 -0.128710D+01  0.605274D+01 -0.983400D+01  0.242599D+01
      2  -0.180278D+01 -0.448359D+01 -0.881465D+00  0.220958D+01 -0.269029D+01
      3  -0.146810D+01  0.101334D+01 -0.942036D+00  0.278971D+01  0.187965D+01
               101           102           103           104           105 
      1   0.256373D+01 -0.579833D+00  0.256020D+01  0.798172D+01 -0.809064D+00
      2  -0.220232D+01  0.125852D+01 -0.373714D+01 -0.220701D+01  0.166415D+00
      3  -0.997695D-01 -0.102993D+00  0.402019D+01 -0.214588D+01 -0.399306D+00
               106           107           108           109           110 
      1  -0.583369D+00  0.904495D+00 -0.938077D-01 -0.149994D+01 -0.507805D+00
      2  -0.498757D+00 -0.408388D+00 -0.876665D+00  0.153427D+01  0.140537D+01
      3   0.415720D+00  0.158483D+00  0.119129D+01  0.108622D+02  0.368855D+01
               111           112           113           114           115 
      1  -0.217157D+01 -0.869844D+00 -0.354351D+00 -0.153066D+01 -0.118863D+01
      2   0.159290D+01  0.838024D+00  0.955670D+00  0.738041D+00  0.172869D-02
      3   0.401005D+00  0.443246D+01  0.375275D+01 -0.256326D-01  0.145531D+01
               116           117           118           119           120 
      1  -0.289756D+00  0.135936D+00  0.212915D+00 -0.266056D+00 -0.177950D+00
      2   0.647381D+00  0.311009D+00  0.239438D+01  0.139538D+01 -0.850226D+00
      3   0.195811D+00  0.743052D+00  0.176974D+01  0.111502D+01 -0.171016D+01
               121           122           123           124           125 
      1   0.149314D+00 -0.745588D+00 -0.292657D+01  0.240023D+00  0.484860D+00
      2   0.175772D+01  0.583477D+01 -0.686192D+01 -0.175182D+01 -0.675288D+01
      3   0.193836D+01  0.101272D+02 -0.634766D+01 -0.230556D+01 -0.690276D+01
               126           127           128           129           130 
      1   0.292750D+01 -0.181850D+01  0.100649D+01  0.219964D+01  0.164339D+01
      2   0.881751D+01 -0.415115D+01  0.320098D+01  0.525539D+01  0.287054D+01
      3   0.649075D+01  0.245657D+00 -0.333622D+01 -0.151873D+01 -0.182132D+01
               131           132           133           134           135 
      1  -0.146478D+01 -0.365854D+01  0.220179D+01 -0.727240D+00 -0.532515D+01
      2  -0.407139D+01 -0.583088D+01  0.391638D+01 -0.567582D+01 -0.109830D+02
      3   0.621922D+01  0.253474D+01 -0.144779D+01  0.491727D+01  0.385522D+01
               136           137           138           139           140 
      1   0.211524D+01  0.186937D+01  0.961069D+00  0.144132D+01  0.217480D+01
      2   0.173555D+01  0.128562D+01  0.518554D+01  0.141191D+01  0.149080D+01
      3  -0.906378D+01 -0.734929D+01 -0.356158D+01 -0.558921D+01 -0.779689D+01
               141           142           143           144           145 
      1  -0.325856D+00  0.154074D+01  0.161487D+01  0.619820D+00 -0.198264D+01
      2   0.260142D+01  0.251037D+01  0.345793D+00  0.336668D+01 -0.845830D+01
      3  -0.301072D+01 -0.343740D+01 -0.337607D+01 -0.192018D+01 -0.976838D+01
               146           147           148           149           150 
      1   0.227315D+01  0.121766D+01  0.124281D+01 -0.361756D+01 -0.759125D+00
      2   0.515386D+01 -0.202427D+01  0.508868D+01 -0.434298D+01  0.208830D+01
      3   0.496567D+01 -0.297565D+01  0.705607D+01 -0.639306D+01  0.311707D+01
               151           152           153           154           155 
      1   0.110287D+00  0.130126D+01  0.111055D+01 -0.463131D+01 -0.423290D+01
      2  -0.356632D+01  0.262287D+01 -0.313454D+01  0.600741D+01  0.449103D+01
      3  -0.272108D+01  0.220305D+01 -0.251541D+01  0.247009D+01 -0.188060D+01
               156           157           158           159           160 
      1  -0.337746D+01 -0.430409D+01 -0.568833D+01 -0.252956D+01 -0.220926D+01
      2   0.398414D+01  0.474433D+01  0.379639D+01  0.224190D+01  0.167674D+01
      3  -0.591540D-01  0.182768D+01 -0.358606D+01  0.413423D+00  0.550224D+00
               161           162           163           164           165 
      1  -0.870187D+00 -0.173594D+01  0.192386D+01 -0.222921D+01 -0.311230D+01
      2   0.151390D+01  0.230692D+01  0.113334D-01  0.753483D+00  0.158136D+01
      3  -0.954806D+00  0.549694D+00  0.137127D+01 -0.178579D+01 -0.269480D+01
               166           167           168           169           170 
      1  -0.193356D+01  0.477559D+01  0.382335D+01 -0.375154D+01  0.614811D+01
      2  -0.133951D+00 -0.110907D+01 -0.297782D+01 -0.138877D+01 -0.100072D+01
      3  -0.386980D+00  0.306952D+01  0.287778D+01 -0.258781D+01  0.340478D+01
               171 
      1   0.985856D+01
      2  -0.793965D+01
      3   0.463524D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.799924D+01 -0.190779D+01 -0.362110D+01  0.227743D+01 -0.981155D+01
      2  -0.367873D+01  0.392921D+00 -0.178844D+00 -0.244438D+01  0.159455D+02
      3  -0.432051D+01  0.151487D+01  0.379995D+01  0.166953D+00 -0.613393D+01
      4  -0.602044D+01  0.137365D+02  0.391469D+01  0.756038D+01 -0.672278D+01
      5  -0.623525D+01  0.468492D+01  0.128540D+02  0.378723D+01 -0.460088D+01
      6   0.329097D+01  0.480226D+00 -0.993943D+00 -0.147335D+01  0.812017D+01
                 6             7             8             9            10 
      1  -0.480817D+01  0.231534D+01 -0.429395D+01 -0.989364D+01 -0.491526D+02
      2   0.201988D+01  0.310715D+00  0.225726D+01 -0.299237D+01  0.282396D+02
      3   0.278829D+01 -0.262606D+01  0.203669D+01  0.128860D+02  0.209131D+02
      4  -0.249562D+01  0.343542D+01  0.236620D+01 -0.360824D+01 -0.435278D+01
      5   0.692868D+00  0.691698D+01 -0.381333D+01 -0.414662D+01 -0.175934D+02
      6   0.799237D+01 -0.101161D+01  0.939734D+01  0.819563D+01  0.328084D+01
                11            12            13            14            15 
      1  -0.148927D+01 -0.910928D+01 -0.679904D+01  0.112374D+01  0.760655D+01
      2  -0.399783D+01  0.847875D+01  0.283066D+01 -0.152461D+01 -0.133777D+01
      3   0.548709D+01  0.630533D+00  0.396838D+01  0.400872D+00 -0.626877D+01
      4  -0.140345D+02  0.698313D+00  0.321935D+01 -0.306864D+01  0.726439D+00
      5   0.249132D-01 -0.180636D+02 -0.243372D+01  0.103899D+00 -0.157632D+01
      6  -0.445457D+01  0.169640D+01 -0.261430D+00 -0.523530D+01  0.453952D+00
                16            17            18            19            20 
      1  -0.152794D+02  0.672024D+01 -0.101027D+01  0.994444D+02  0.301681D+01
      2   0.743523D+01 -0.687673D+01  0.900301D+00 -0.541256D+02  0.167689D+01
      3   0.784417D+01  0.156486D+00  0.109969D+00 -0.453188D+02 -0.469369D+01
      4  -0.225405D+01 -0.687342D+01  0.129439D+01  0.648455D+00  0.238971D+02
      5  -0.191358D+01  0.288021D+01 -0.690481D+01  0.232090D+02 -0.406698D+00
      6   0.213895D+01 -0.197056D+01 -0.464709D+01 -0.550987D+01  0.248180D+01
                21            22            23            24            25 
      1   0.154501D+02  0.300623D+01  0.974082D+01 -0.158416D+01  0.121770D+02
      2  -0.119696D+02 -0.258853D+01 -0.284788D+00  0.602332D+00 -0.989873D+01
      3  -0.348052D+01 -0.417705D+00 -0.945603D+01  0.981826D+00 -0.227824D+01
      4  -0.865925D+00  0.220630D+02  0.150602D+01  0.548275D+01 -0.819366D+00
      5   0.280158D+02 -0.104371D+01  0.452009D+01  0.429981D+00  0.273120D+02
      6  -0.280526D+01  0.329275D+01 -0.507710D+00  0.512501D+01 -0.250149D+01
                26            27            28            29            30 
      1  -0.843639D+00  0.122553D+02 -0.693764D+01  0.428745D+01  0.236505D+01
      2   0.832893D+00 -0.135932D+02  0.487037D+01 -0.464540D+01 -0.115173D+01
      3   0.107458D-01  0.133785D+01  0.206727D+01  0.357950D+00 -0.121331D+01
      4   0.564043D+01 -0.102250D+01  0.128226D+01  0.196329D+00 -0.108297D+00
      5  -0.782446D-01  0.170599D+02  0.247924D+01  0.323579D+00 -0.173875D+00
      6   0.516667D+01 -0.192572D+01  0.149443D+01 -0.591977D+00 -0.198392D+01
                31            32            33            34            35 
      1  -0.438793D+01  0.751077D+01 -0.648868D+01 -0.347487D+00 -0.835129D+01
      2   0.301200D+01 -0.135137D+02  0.505966D+01 -0.976301D-01  0.151660D+02
      3   0.137593D+01  0.600294D+01  0.142902D+01  0.445117D+00 -0.681468D+01
      4  -0.342375D+01 -0.228186D+01  0.164588D+01 -0.350155D+00 -0.204466D+00
      5  -0.249346D+00  0.359592D+00 -0.354197D+01 -0.237928D+01 -0.110450D+01
      6   0.149966D+01  0.228247D+01 -0.309942D+01 -0.165068D+00 -0.206013D+01
                36            37            38            39            40 
      1   0.916666D+01  0.154090D+01  0.828763D+01 -0.443225D+01  0.131522D+02
      2   0.999163D+01 -0.825299D+00 -0.213937D+01  0.285797D+01 -0.410851D+01
      3  -0.191583D+02 -0.715601D+00 -0.614826D+01  0.157428D+01 -0.904369D+01
      4   0.519818D+00  0.110798D+02 -0.455959D+00  0.508047D+01 -0.116490D+01
      5  -0.487120D+01 -0.507844D+01  0.567267D+01  0.196904D+01  0.962603D+01
      6  -0.100354D+02 -0.312248D+01  0.456655D+01  0.636971D+00  0.351093D+01
                41            42            43            44            45 
      1   0.473007D+00  0.700418D+01 -0.320569D+01  0.690314D+01  0.368089D+01
      2   0.281807D+01 -0.415106D+01  0.135019D+01 -0.251866D+01 -0.566826D+01
      3  -0.329107D+01 -0.285312D+01  0.185550D+01 -0.438449D+01  0.198737D+01
      4  -0.643466D+00  0.303798D+01  0.816220D+01  0.225845D+01 -0.831183D+01
      5   0.386194D+01 -0.897712D+01  0.331597D+01 -0.900494D+01  0.283838D+01
      6   0.408932D+01 -0.549903D+01 -0.190466D+01 -0.552755D+01  0.296237D+01
                46            47            48            49            50 
      1  -0.368866D+01  0.394380D+01  0.798279D+01  0.274555D+01  0.695045D+01
      2  -0.705943D+00 -0.727495D+01 -0.744388D+00 -0.718982D+01 -0.111471D+02
      3   0.439460D+01  0.333115D+01 -0.723840D+01  0.444427D+01  0.419669D+01
      4  -0.228902D+01 -0.110513D+02 -0.345494D+01 -0.631075D+01 -0.818338D+01
      5   0.339903D+01 -0.536257D+01 -0.682847D+01 -0.438826D+01 -0.657790D+01
      6   0.789998D+00 -0.942689D+01 -0.563953D+01 -0.813451D+01 -0.110225D+02
                51            52            53            54            55 
      1  -0.753522D+01  0.595108D+01 -0.581842D+01  0.670127D+01  0.377546D+01
      2  -0.107316D+02 -0.168218D+01 -0.699825D+01  0.995493D+01 -0.729956D+01
      3   0.182669D+02 -0.426891D+01  0.128167D+02 -0.166562D+02  0.352410D+01
      4  -0.476495D+01 -0.144928D+01 -0.272585D+01  0.112443D+01 -0.160837D+02
      5   0.384919D+01 -0.263268D+01  0.153595D+01 -0.562406D+01 -0.159537D+01
      6  -0.241132D+01 -0.287292D+01 -0.278750D+00  0.645233D+01 -0.367862D+01
                56            57            58            59            60 
      1   0.180124D+01 -0.317825D+00  0.302990D+01 -0.205923D+02  0.627867D+01
      2  -0.891105D+01  0.672528D+00 -0.541055D+01  0.312012D+02 -0.337836D+01
      3   0.710982D+01 -0.354702D+00  0.238064D+01 -0.106089D+02 -0.290032D+01
      4  -0.456676D+01 -0.276819D+01  0.793049D+00 -0.347222D+01 -0.197006D+01
      5  -0.501133D+00  0.350107D+01 -0.216679D+00 -0.126444D+01  0.190510D+01
      6  -0.174684D+01 -0.700402D+00 -0.172488D+01 -0.523929D+01  0.873326D+01
                61            62            63            64            65 
      1  -0.955940D+00  0.822690D+01 -0.868545D+01 -0.246800D-01 -0.463002D+00
      2  -0.616492D+00 -0.134313D+02  0.324004D+01 -0.314772D+01 -0.605222D-01
      3   0.157243D+01  0.520439D+01  0.544541D+01  0.317240D+01  0.523524D+00
      4  -0.546229D+01 -0.419427D+01  0.581259D+00 -0.315101D+00  0.234031D+01
      5   0.352458D+01  0.190822D+01 -0.236247D+01  0.106042D+01  0.115761D+01
      6  -0.832433D+00  0.115358D+02 -0.572755D+01  0.225676D+01  0.187844D+00
                66            67            68            69            70 
      1   0.359207D+00  0.175410D+00 -0.570837D+01 -0.372847D+01  0.601790D+00
      2  -0.703723D+00 -0.141572D+00  0.285368D+01  0.132629D+01 -0.525864D+00
      3   0.344516D+00 -0.338373D-01  0.285469D+01  0.240218D+01 -0.759257D-01
      4   0.235995D+01  0.177708D+01  0.624227D+00  0.326880D+00  0.163263D+01
      5   0.622876D+01  0.737047D+00  0.570064D+00  0.629891D+00  0.563756D+01
      6   0.560352D+00  0.256779D+00  0.494197D+01  0.814240D+01  0.741476D+00
                71            72            73            74            75 
      1  -0.487234D+01 -0.183833D+02 -0.118523D+02 -0.163510D+02 -0.408426D+01
      2   0.111723D+01 -0.142398D+02  0.105029D+02  0.102450D+02  0.596568D+01
      3   0.375511D+01  0.326230D+02  0.134939D+01  0.610599D+01 -0.188142D+01
      4   0.813789D+00  0.261015D+00 -0.168655D+02 -0.917700D+00 -0.157200D+02
      5   0.107293D+01  0.492158D+01 -0.171712D+01 -0.174985D+02 -0.848141D+01
      6   0.769172D+01  0.162129D+02 -0.506738D+01  0.376901D+01  0.491019D+00
                76            77            78            79            80 
      1  -0.217728D+02 -0.246228D+00 -0.200157D+02 -0.408805D+01 -0.188753D+02
      2   0.138419D+02  0.469881D+00  0.104606D+02  0.657532D+01  0.876290D+01
      3   0.793090D+01 -0.223653D+00  0.955508D+01 -0.248727D+01  0.101124D+02
      4  -0.348898D+01  0.391749D+01 -0.118370D+01 -0.184828D+02  0.107419D+01
      5  -0.210861D+02 -0.399128D+01  0.133318D+02 -0.119954D+02  0.152926D+02
      6   0.317298D+01  0.199615D+01 -0.904018D+01  0.357901D+01 -0.974485D+01
                81            82            83            84            85 
      1  -0.242437D+01  0.402323D+01 -0.189445D+02  0.389072D+01 -0.191352D+02
      2  -0.211847D+01 -0.104383D+02  0.202884D+01 -0.111759D+02 -0.153242D+00
      3   0.454284D+01  0.641507D+01  0.169157D+02  0.728516D+01  0.192885D+02
      4   0.158728D+02 -0.123747D+02 -0.140744D+02 -0.481183D+01 -0.139617D+02
      5   0.381799D+01  0.353334D+00  0.109577D+01 -0.515526D+01 -0.134881D+01
      6  -0.352808D-01  0.773166D+01 -0.710238D+01  0.615297D+01 -0.682458D+01
                86            87            88            89            90 
      1  -0.197518D+01 -0.282646D+01  0.174581D+01 -0.393401D+01 -0.196345D+01
      2  -0.410418D+01  0.100936D+02 -0.117237D+02  0.761903D+01  0.144522D+02
      3   0.607936D+01 -0.726718D+01  0.997786D+01 -0.368502D+01 -0.124887D+02
      4  -0.439664D+01 -0.734679D+01 -0.860061D+01 -0.989049D+01  0.928113D+01
      5  -0.333851D+01  0.176461D+02 -0.563815D+01  0.154954D+02  0.891813D+01
      6  -0.658958D+00  0.529201D+01  0.685569D+01  0.599685D+01 -0.764876D+01
                91            92            93            94            95 
      1  -0.643602D+00 -0.665926D+00 -0.593652D-01 -0.758657D+00 -0.490539D+01
      2  -0.430255D+01  0.125966D+01 -0.164373D+01  0.243098D+01 -0.144009D+01
      3   0.494615D+01 -0.593736D+00  0.170309D+01 -0.167232D+01  0.634547D+01
      4  -0.259264D+00  0.207608D+01  0.868318D+00  0.152379D+01 -0.499907D-01
      5   0.190234D+01 -0.125976D+01  0.826193D+01 -0.276789D+01  0.241117D+01
      6  -0.843186D+00  0.116204D+01  0.612156D+00  0.262888D+01 -0.319625D+01
                96            97            98            99           100 
      1   0.712393D+01 -0.197286D+01  0.295232D+01 -0.210137D+02  0.189822D+00
      2   0.840389D+01 -0.178354D+01  0.447388D+01 -0.197476D+02  0.466556D+01
      3  -0.155278D+02  0.375641D+01 -0.742619D+01  0.407613D+02 -0.485538D+01
      4   0.203985D+01  0.836050D+00  0.163062D+01 -0.110062D+01  0.884754D+01
      5  -0.384214D+01  0.691423D+01 -0.896739D+00  0.853074D+01  0.503670D+01
      6   0.601999D+01  0.383628D-01  0.565954D+01  0.219377D+00  0.571275D+01
               101           102           103           104           105 
      1  -0.284503D+01 -0.204829D+01 -0.314462D+01 -0.178555D+02 -0.690298D+01
      2   0.632184D+01  0.974011D+00  0.649492D+01  0.282045D+02  0.696933D+01
      3  -0.347681D+01  0.107428D+01 -0.335030D+01 -0.103489D+02 -0.663527D-01
      4   0.115719D+02  0.414054D+01  0.107230D+02  0.151177D+02  0.490638D+01
      5   0.600002D+01  0.489851D+01  0.516316D+01  0.633905D+01  0.397548D+01
      6   0.708355D+01  0.530465D+01  0.619162D+01  0.213830D+02  0.124613D+02
               106           107           108           109           110 
      1  -0.250863D+01 -0.369997D+01 -0.605972D+01  0.178759D+01 -0.295608D+01
      2   0.314161D+00  0.215241D+01  0.202942D+01  0.877958D+01  0.135331D+02
      3   0.219447D+01  0.154756D+01  0.403030D+01 -0.105672D+02 -0.105771D+02
      4   0.153589D+01  0.245369D+01  0.340290D+01  0.206932D+02  0.181968D+02
      5   0.261976D+01  0.301817D+01  0.341122D+01 -0.201418D+00 -0.239959D+00
      6   0.376765D+01  0.879253D+01  0.622129D+01  0.174301D+01  0.982748D+00
               111           112           113           114           115 
      1   0.706413D-01 -0.162328D+01 -0.497472D+01 -0.161329D+00 -0.231397D+00
      2  -0.411968D+00  0.783477D+01  0.139781D+02  0.381014D+00  0.119695D+01
      3   0.341327D+00 -0.621149D+01 -0.900338D+01 -0.219685D+00 -0.965557D+00
      4   0.397367D+00  0.117641D+02  0.115182D+02  0.809055D-01  0.264870D+01
      5   0.194117D+01 -0.327688D+00  0.155124D+00  0.851869D+00  0.266259D+01
      6   0.302532D+01  0.719393D+00  0.113145D+01  0.252746D+01  0.318843D+01
               116           117           118           119           120 
      1  -0.897824D+00 -0.765688D+00 -0.219778D+01 -0.190631D+01  0.434952D+01
      2   0.195884D+01  0.100487D+01  0.114329D+01  0.116854D+01 -0.169369D+01
      3  -0.106102D+01 -0.239185D+00  0.105448D+01  0.737770D+00 -0.265583D+01
      4   0.242309D+01  0.288468D+01  0.917891D+00  0.145032D+01 -0.209076D+00
      5   0.181280D+01  0.464637D+00  0.169570D+01  0.635203D+00  0.118554D+01
      6   0.391413D+01  0.293627D+00 -0.178211D+01 -0.108641D+01  0.773848D+00
               121           122           123           124           125 
      1  -0.311524D+01 -0.904591D+01  0.834545D+01  0.605479D+01  0.852154D+01
      2   0.971084D+00  0.120704D+02 -0.580222D+01 -0.309360D+01 -0.583026D+01
      3   0.214415D+01 -0.302445D+01 -0.254323D+01 -0.296119D+01 -0.269129D+01
      4   0.616813D+01 -0.161710D+02  0.918977D+01 -0.293418D+01  0.102820D+02
      5  -0.977953D+00  0.969142D+01 -0.113584D+02  0.562002D+01 -0.114033D+02
      6   0.681142D+00 -0.115699D+02  0.112587D+02 -0.128982D+01  0.118099D+02
               126           127           128           129           130 
      1  -0.864350D+01  0.162805D+02 -0.490524D+01 -0.684864D+01 -0.474317D+01
      2   0.916563D+00 -0.700164D+01 -0.290778D+00  0.212079D+01 -0.135469D+01
      3   0.772693D+01 -0.927887D+01  0.519602D+01  0.472785D+01  0.609786D+01
      4  -0.106447D+02 -0.103117D+02  0.988403D+01  0.810457D+01  0.127768D+02
      5   0.146086D+02 -0.911093D+01  0.693735D+01  0.102309D+02  0.776270D+01
      6  -0.123692D+02  0.419740D+01 -0.263170D+01 -0.301677D+01 -0.363665D+01
               131           132           133           134           135 
      1   0.203327D+01  0.296981D+01 -0.124203D+02  0.436165D+01  0.352539D+01
      2   0.548490D+01  0.128132D+01  0.498420D+01  0.145823D+01 -0.271002D+01
      3  -0.751817D+01 -0.425114D+01  0.743605D+01 -0.581989D+01 -0.815371D+00
      4  -0.164208D+02 -0.875007D+01  0.134204D+02 -0.130280D+02 -0.121182D+02
      5  -0.793904D+01 -0.985341D+01  0.145304D+02 -0.113926D+02 -0.211852D+02
      6   0.598879D+01  0.747163D+01 -0.542059D+01  0.827657D+01  0.996539D+01
               136           137           138           139           140 
      1   0.454872D+02  0.118285D+02  0.112979D+02  0.223789D+02  0.903227D+01
      2  -0.267930D+02 -0.762258D+01 -0.883739D+01 -0.133949D+02 -0.494550D+01
      3  -0.186942D+02 -0.420596D+01 -0.246047D+01 -0.898400D+01 -0.408677D+01
      4   0.857451D+01  0.971334D+01  0.380762D+01  0.116770D+02  0.121621D+02
      5   0.161431D+02  0.590476D+01  0.126037D+02  0.992248D+01  0.568895D+01
      6   0.153503D+01  0.112645D+01  0.249900D+00  0.188115D+01  0.253049D+01
               141           142           143           144           145 
      1   0.625314D+01  0.122308D+02  0.431268D+01  0.789007D+01 -0.927243D+01
      2  -0.533601D+01 -0.984460D+01 -0.356626D+01 -0.713497D+01  0.769345D+01
      3  -0.917129D+00 -0.238620D+01 -0.746426D+00 -0.755093D+00  0.157898D+01
      4   0.425551D+01  0.399160D+01  0.386191D+01  0.144423D+01 -0.710066D+01
      5   0.647626D+01  0.145902D+02  0.282172D+01  0.101181D+02  0.839675D+01
      6   0.318812D+01  0.360667D+00  0.338260D+01  0.100943D+01 -0.695895D+01
               146           147           148           149           150 
      1   0.126725D+02 -0.807124D+01  0.100030D+02 -0.147240D+02  0.781936D+01
      2  -0.105153D+02  0.292576D+01 -0.791511D+01  0.168939D+02 -0.544519D+01
      3  -0.215728D+01  0.514548D+01 -0.208790D+01 -0.216989D+01 -0.237418D+01
      4   0.452222D+01 -0.721783D+00  0.598817D+01 -0.539851D-01  0.684492D+00
      5  -0.336635D+01  0.217662D+01 -0.382774D+01  0.233094D+01 -0.197335D+01
      6   0.985483D+01 -0.858915D+01  0.641324D+01 -0.130632D+02  0.843389D+01
               151           152           153           154           155 
      1  -0.489473D+01  0.693181D+01 -0.779143D+01  0.202826D+02  0.931058D+01
      2   0.230914D+01 -0.364146D+01  0.239873D+00 -0.125817D+01  0.503034D+01
      3   0.258559D+01 -0.329035D+01  0.755155D+01 -0.190244D+02 -0.143409D+02
      4  -0.777881D+00  0.141267D+01 -0.195842D+01  0.248064D+02  0.208048D+02
      5   0.353930D+01 -0.206549D+01  0.116866D+00 -0.737565D+01 -0.491544D+01
      6  -0.551217D+01  0.753031D+01 -0.689941D+01 -0.409007D+01 -0.360044D+01
               156           157           158           159           160 
      1   0.177678D+01  0.854065D+01  0.177486D+01  0.135060D+01  0.501326D+01
      2   0.233279D+01  0.551590D+01  0.140923D+02  0.499858D+00  0.141450D+01
      3  -0.410957D+01 -0.140566D+02 -0.158671D+02 -0.185046D+01 -0.642776D+01
      4   0.533362D+00  0.199800D+02  0.229157D+02  0.924759D+00  0.578355D+01
      5   0.624865D+01 -0.465267D+01 -0.366595D+01  0.198401D+01  0.390616D+01
      6   0.360614D+01 -0.314562D+01 -0.596886D+01  0.387315D+01  0.222709D+01
               161           162           163           164           165 
      1   0.147992D+01  0.257326D+01  0.428145D+01  0.176666D+00 -0.355084D+01
      2   0.276651D+01 -0.553207D+00 -0.697959D+01  0.235503D+01  0.948289D+01
      3  -0.424643D+01 -0.202006D+01  0.269814D+01 -0.253170D+01 -0.593205D+01
      4   0.601434D+01  0.373609D+01  0.129098D+01  0.395302D+01 -0.102712D+00
      5   0.116797D+01  0.994279D+00 -0.107183D+02  0.225607D+01  0.134233D+02
      6   0.238910D+01  0.243374D+01 -0.980201D+00 -0.105384D+01  0.619232D+00
               166           167           168           169           170 
      1  -0.127484D+01 -0.294777D+00 -0.146212D+01 -0.288523D+01  0.414925D+00
      2   0.466013D+01 -0.406279D+01 -0.939239D+01  0.106761D+02 -0.646387D+01
      3  -0.338529D+01  0.435756D+01  0.108545D+02 -0.779088D+01  0.604895D+01
      4   0.332830D+01 -0.412828D+01 -0.274071D+01 -0.315804D+00 -0.331489D+01
      5   0.632185D+01 -0.465423D+01 -0.106498D+02  0.144613D+02 -0.507858D+01
      6  -0.997807D+00  0.514070D+01  0.391299D+01  0.781713D+00  0.528091D+01
               171 
      1  -0.904929D+01
      2  -0.238628D+02
      3   0.329120D+02
      4  -0.163822D+01
      5  -0.266563D+02
      6  -0.353532D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.138885D+01      0.353011D+01      0.117752D+02
   x         -0.138051D+01     -0.350890D+01     -0.117044D+02
   y          0.120940D+00      0.307399D+00      0.102537D+01
   z          0.920778D-01      0.234038D+00      0.780668D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.775835D+02      0.114967D+02      0.127918D+02
   aniso      0.170392D+02      0.252495D+01      0.280938D+01
   xx         0.873560D+02      0.129448D+02      0.144031D+02
   yx         0.237664D+01      0.352182D+00      0.391856D+00
   yy         0.740382D+02      0.109713D+02      0.122073D+02
   zx         0.408341D+01      0.605099D+00      0.673264D+00
   zy         0.101509D+01      0.150421D+00      0.167366D+00
   zz         0.713563D+02      0.105739D+02      0.117651D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.810235D+02      0.120064D+02      0.133590D+02
   aniso      0.171798D+02      0.254579D+01      0.283257D+01
   xx         0.909920D+02      0.134836D+02      0.150025D+02
   yx         0.216829D+01      0.321308D+00      0.357503D+00
   yy         0.772421D+02      0.114461D+02      0.127355D+02
   zx         0.404970D+01      0.600104D+00      0.667705D+00
   zy         0.114243D+01      0.169290D+00      0.188361D+00
   zz         0.748363D+02      0.110896D+02      0.123388D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -1.55437010         -1.74497195         -2.18063241
     6          0.37768643         -0.15391781         -2.68318866
     8          1.24977350          0.13306867         -4.75163775
     6          1.11616825          1.25650837         -0.26329880
     6         -0.00310995         -0.40101639          1.83007081
     6         -2.29324872         -1.53288588          0.43907627
     8         -0.07542417          3.66815660         -0.31080882
     1          3.16790422          1.44562121         -0.12806063
     6         -0.76986026          1.03577573          4.20354551
     6          1.89345626         -2.49931554          2.46239409
     1         -3.94135709         -0.29897836          0.54428798
     1         -2.79563854         -3.41649324          1.09591365
     1          0.43444072          4.51892883         -1.84140311
     1         -2.05346140          2.58054691          3.76304098
     1          0.88550229          1.82725366          5.14449394
     1         -1.70058522         -0.23901202          5.53418525
     1          2.44070756         -3.57130167          0.78601799
     1          1.07255014         -3.82032819          3.81599103
     1          3.60355101         -1.70715325          3.29857708

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.138885D+01      0.353011D+01      0.117752D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.138885D+01      0.353011D+01      0.117752D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.775835D+02      0.114967D+02      0.127918D+02
   aniso      0.170392D+02      0.252495D+01      0.280938D+01
   xx         0.722483D+02      0.107061D+02      0.119121D+02
   yx         0.179840D+01      0.266495D+00      0.296516D+00
   yy         0.742555D+02      0.110035D+02      0.122431D+02
   zx        -0.524639D+01     -0.777434D+00     -0.865012D+00
   zy        -0.295332D+01     -0.437636D+00     -0.486936D+00
   zz         0.862468D+02      0.127805D+02      0.142202D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.810235D+02      0.120064D+02      0.133590D+02
   aniso      0.171798D+02      0.254579D+01      0.283257D+01
   xx         0.757404D+02      0.112236D+02      0.124879D+02
   yx         0.188278D+01      0.279000D+00      0.310429D+00
   yy         0.774092D+02      0.114709D+02      0.127631D+02
   zx        -0.519939D+01     -0.770470D+00     -0.857263D+00
   zy        -0.278130D+01     -0.412146D+00     -0.458574D+00
   zz         0.899208D+02      0.133249D+02      0.148259D+02

 ----------------------------------------------------------------------
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 I WANT IT ALL - RICH, THIN, AND CHOCOLATE.
 Job cpu time:       0 days  4 hours  7 minutes 52.3 seconds.
 Elapsed time:       0 days  0 hours 15 minutes 31.9 seconds.
 File lengths (MBytes):  RWF=    230 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 16:17:02 2021.
